2 % bibliography database
5 @Article{schroedinger26,
6 author = "E. Schrödinger",
7 title = "Quantisierung als Eigenwertproblem",
8 journal = "Ann. Phys. (Leipzig)",
11 publisher = "WILEY-VCH Verlag",
13 URL = "http://dx.doi.org/10.1002/andp.19263840404",
14 doi = "10.1002/andp.19263840404",
20 author = "Felix Bloch",
21 affiliation = "Institut d. Universität f. theor. Physik Leipzig",
22 title = "Über die Quantenmechanik der Elektronen in
25 publisher = "Springer Berlin / Heidelberg",
27 keyword = "Physics and Astronomy",
31 URL = "http://dx.doi.org/10.1007/BF01339455",
32 note = "10.1007/BF01339455",
36 @Article{albe_sic_pot,
37 author = "Paul Erhart and Karsten Albe",
38 title = "Analytical potential for atomistic simulations of
39 silicon, carbon, and silicon carbide",
42 journal = "Phys. Rev. B",
48 notes = "alble reparametrization, analytical bond oder
50 keywords = "silicon; elemental semiconductors; carbon; silicon
51 compounds; wide band gap semiconductors; elasticity;
52 enthalpy; point defects; crystallographic shear; atomic
54 URL = "http://link.aps.org/abstract/PRB/v71/e035211",
55 doi = "10.1103/PhysRevB.71.035211",
59 title = "The role of thermostats in modeling vapor phase
60 condensation of silicon nanoparticles",
61 journal = "Appl. Surf. Sci.",
66 note = "EMRS 2003 Symposium F, Nanostructures from Clusters",
68 doi = "DOI: 10.1016/j.apsusc.2003.11.003",
69 URL = "http://www.sciencedirect.com/science/article/B6THY-4B957HV-8/2/b35dbe80a70d173f6f7a00dacbcbd738",
70 author = "Paul Erhart and Karsten Albe",
74 title = "Modeling the metal-semiconductor interaction:
75 Analytical bond-order potential for platinum-carbon",
76 author = "Karsten Albe and Kai Nordlund and Robert S. Averback",
77 journal = "Phys. Rev. B",
84 doi = "10.1103/PhysRevB.65.195124",
85 publisher = "American Physical Society",
86 notes = "derivation of albe bond order formalism",
90 title = "Vibrational absorption of carbon in silicon",
91 journal = "J. Phys. Chem. Solids",
98 doi = "DOI: 10.1016/0022-3697(65)90166-6",
99 URL = "http://www.sciencedirect.com/science/article/B6TXR-46RVGM8-1C/2/d50c4df37065a75517d63a04af18d667",
100 author = "R. C. Newman and J. B. Willis",
101 notes = "c impurity dissolved as substitutional c in si",
105 author = "J. A. Baker and T. N. Tucker and N. E. Moyer and R. C.
108 title = "Effect of Carbon on the Lattice Parameter of Silicon",
111 journal = "J. Appl. Phys.",
114 pages = "4365--4368",
115 URL = "http://link.aip.org/link/?JAP/39/4365/1",
116 doi = "10.1063/1.1656977",
117 notes = "lattice contraction due to subst c",
121 title = "The solubility of carbon in pulled silicon crystals",
122 journal = "J. Phys. Chem. Solids",
125 pages = "1211--1219",
129 doi = "DOI: 10.1016/S0022-3697(71)80179-8",
130 URL = "http://www.sciencedirect.com/science/article/B6TXR-4PR80SS-D/2/ce21d10d2bb885b5641905883a618ff5",
131 author = "A. R. Bean and R. C. Newman",
132 notes = "experimental solubility data of carbon in silicon",
136 author = "M. A. Capano and R. J. Trew",
137 title = "Silicon carbide electronic materials and devices",
138 journal = "MRS Bull.",
143 publisher = "MATERIALS RESEARCH SOCIETY",
146 @Article{capano97_old,
147 author = "M. A. Capano and R. J. Trew",
148 title = "Silicon Carbide Electronic Materials and Devices",
149 journal = "MRS Bull.",
156 author = "G. R. Fisher and P. Barnes",
157 title = "Towards a unified view of polytypism in silicon
159 journal = "Philos. Mag. B",
163 notes = "sic polytypes",
167 author = "R. K{\"{o}}gler and F. Eichhorn and J. R. Kaschny and
168 A. M{\"{u}}cklich and H. Reuther and W. Skorupa and C.
169 Serre and A. Perez-Rodriguez",
170 title = "Synthesis of nano-sized Si{C} precipitates in Si by
171 simultaneous dual-beam implantation of {C}+ and Si+
173 journal = "Appl. Phys. A",
178 URL = "http://www.springerlink.com/content/jr8xj33mqc5vpwwj/",
179 notes = "dual implantation, sic prec enhanced by vacancies,
180 precipitation by interstitial and substitutional
181 carbon, both mechanisms explained + refs",
185 title = "Carbon-mediated effects in silicon and in
186 silicon-related materials",
187 journal = "Mater. Chem. Phys.",
194 doi = "DOI: 10.1016/0254-0584(95)01673-I",
195 URL = "http://www.sciencedirect.com/science/article/B6TX4-3VR9V74-2/2/4ab972315eb79eaa76b55ffab5aed982",
196 author = "W. Skorupa and R. A. Yankov",
197 notes = "review of silicon carbon compound",
201 author = "P. S. de Laplace",
202 title = "Th\'eorie analytique des probabilit\'es",
203 series = "Oeuvres Compl\`etes de Laplace",
205 publisher = "Gauthier-Villars",
209 @Article{mattoni2007,
210 author = "A. {Mattoni} and M. {Ippolito} and L. {Colombo}",
211 title = "{Atomistic modeling of brittleness in covalent
213 journal = "Phys. Rev. B",
219 doi = "10.1103/PhysRevB.76.224103",
220 notes = "adopted tersoff potential for Si, C, Ge ad SiC;
221 longe(r)-range-interactions, brittle propagation of
222 fracture, more available potentials, universal energy
223 relation (uer), minimum range model (mrm)",
227 title = "Comparative study of silicon empirical interatomic
229 author = "H. Balamane and T. Halicioglu and W. A. Tiller",
230 journal = "Phys. Rev. B",
233 pages = "2250--2279",
237 doi = "10.1103/PhysRevB.46.2250",
238 publisher = "American Physical Society",
239 notes = "comparison of classical potentials for si",
243 title = "Stress relaxation in $a-Si$ induced by ion
245 author = "H. M. Urbassek M. Koster",
246 journal = "Phys. Rev. B",
249 pages = "11219--11224",
253 doi = "10.1103/PhysRevB.62.11219",
254 publisher = "American Physical Society",
255 notes = "virial derivation for 3-body tersoff potential",
258 @Article{breadmore99,
259 title = "Direct simulation of ion-beam-induced stressing and
260 amorphization of silicon",
261 author = "N. Gr\o{}nbech-Jensen K. M. Beardmore",
262 journal = "Phys. Rev. B",
265 pages = "12610--12616",
269 doi = "10.1103/PhysRevB.60.12610",
270 publisher = "American Physical Society",
271 notes = "virial derivation for 3-body tersoff potential",
275 title = "First-Principles Calculation of Stress",
276 author = "O. H. Nielsen and Richard M. Martin",
277 journal = "Phys. Rev. Lett.",
284 doi = "10.1103/PhysRevLett.50.697",
285 publisher = "American Physical Society",
286 notes = "generalization of virial theorem",
290 title = "Quantum-mechanical theory of stress and force",
291 author = "O. H. Nielsen and Richard M. Martin",
292 journal = "Phys. Rev. B",
295 pages = "3780--3791",
299 doi = "10.1103/PhysRevB.32.3780",
300 publisher = "American Physical Society",
301 notes = "dft virial stress and forces",
305 author = "Henri Moissan",
306 title = "Nouvelles recherches sur la météorité de Cañon
308 journal = "C. R. Acad. Sci.",
315 author = "Y. S. Park",
316 title = "Si{C} Materials and Devices",
317 publisher = "Academic Press",
318 address = "San Diego",
323 author = "Valeri F. Tsvetkov and R. C. Glass and D. Henshall and
324 Calvin H. Carter Jr. and D. Asbury",
325 title = "Si{C} Seeded Boule Growth",
326 journal = "Mater. Sci. Forum",
330 notes = "modified lely process, micropipes",
334 title = "Computer {"}Experiments{"} on Classical Fluids. {I}.
335 Thermodynamical Properties of Lennard-Jones Molecules",
336 author = "Loup Verlet",
337 journal = "Phys. Rev.",
343 doi = "10.1103/PhysRev.159.98",
344 publisher = "American Physical Society",
345 notes = "velocity verlet integration algorithm equation of
349 @Article{berendsen84,
350 author = "H. J. C. Berendsen and J. P. M. Postma and W. F. van
351 Gunsteren and A. DiNola and J. R. Haak",
353 title = "Molecular dynamics with coupling to an external bath",
356 journal = "J. Chem. Phys.",
359 pages = "3684--3690",
360 keywords = "MOLECULAR DYNAMICS CALCULATION; TRANSPORT THEORY;
361 COMPUTERIZED SIMULATION; LIQUIDS; STRUCTURE FACTORS",
362 URL = "http://link.aip.org/link/?JCP/81/3684/1",
363 doi = "10.1063/1.448118",
364 notes = "berendsen thermostat barostat",
368 author = "Hanchen Huang and N M Ghoniem and J K Wong and M
370 title = "Molecular dynamics determination of defect energetics
371 in beta -Si{C} using three representative empirical
373 journal = "Modell. Simul. Mater. Sci. Eng.",
377 URL = "http://stacks.iop.org/0965-0393/3/615",
378 notes = "comparison of tersoff, pearson and eam for defect
379 energetics in sic; (m)eam parameters for sic",
384 title = "Relationship between the embedded-atom method and
386 author = "Donald W. Brenner",
387 journal = "Phys. Rev. Lett.",
394 doi = "10.1103/PhysRevLett.63.1022",
395 publisher = "American Physical Society",
396 notes = "relation of tersoff and eam potential",
400 title = "Molecular-dynamics study of self-interstitials in
402 author = "Inder P. Batra and Farid F. Abraham and S. Ciraci",
403 journal = "Phys. Rev. B",
406 pages = "9552--9558",
410 doi = "10.1103/PhysRevB.35.9552",
411 publisher = "American Physical Society",
412 notes = "selft-interstitials in silicon, stillinger-weber,
413 calculation of defect formation energy, defect
418 title = "Extended interstitials in silicon and germanium",
419 author = "H. R. Schober",
420 journal = "Phys. Rev. B",
423 pages = "13013--13015",
427 doi = "10.1103/PhysRevB.39.13013",
428 publisher = "American Physical Society",
429 notes = "stillinger-weber silicon 110 stable and metastable
430 dumbbell configuration",
434 title = "Cascade overlap and amorphization in $3{C}-Si{C}:$
435 Defect accumulation, topological features, and
437 author = "F. Gao and W. J. Weber",
438 journal = "Phys. Rev. B",
445 doi = "10.1103/PhysRevB.66.024106",
446 publisher = "American Physical Society",
447 notes = "sic intro, si cascade in 3c-sic, amorphization,
448 tersoff modified, pair correlation of amorphous sic, md
452 @Article{devanathan98,
453 title = "Computer simulation of a 10 ke{V} Si displacement
455 journal = "Nucl. Instrum. Methods Phys. Res. B",
461 doi = "DOI: 10.1016/S0168-583X(98)00084-6",
462 author = "R. Devanathan and W. J. Weber and T. Diaz de la
464 notes = "modified tersoff short range potential, ab initio
468 @Article{devanathan98_2,
469 title = "Displacement threshold energies in [beta]-Si{C}",
470 journal = "J. Nucl. Mater.",
476 doi = "DOI: 10.1016/S0022-3115(97)00304-8",
477 author = "R. Devanathan and T. Diaz de la Rubia and W. J.
479 notes = "modified tersoff, ab initio, combined ab initio
483 @Article{kitabatake00,
484 title = "Si{C}/Si heteroepitaxial growth",
485 author = "M. Kitabatake",
486 journal = "Thin Solid Films",
491 notes = "md simulation, sic si heteroepitaxy, mbe",
495 title = "Intrinsic point defects in crystalline silicon:
496 Tight-binding molecular dynamics studies of
497 self-diffusion, interstitial-vacancy recombination, and
499 author = "M. Tang and L. Colombo and J. Zhu and T. Diaz de la
501 journal = "Phys. Rev. B",
504 pages = "14279--14289",
508 doi = "10.1103/PhysRevB.55.14279",
509 publisher = "American Physical Society",
510 notes = "si self interstitial, diffusion, tbmd",
514 author = "M. D. Johnson and M.-J. Caturla and T. D\'{\i}az de la
517 title = "A kinetic Monte--Carlo study of the effective
518 diffusivity of the silicon self-interstitial in the
519 presence of carbon and boron",
522 journal = "J. Appl. Phys.",
525 pages = "1963--1967",
526 keywords = "MONTE CARLO METHOD; DIFFUSION; SILICON; INTERSTITIALS;
527 CARBON ADDITIONS; BORON ADDITIONS; elemental
528 semiconductors; self-diffusion",
529 URL = "http://link.aip.org/link/?JAP/84/1963/1",
530 doi = "10.1063/1.368328",
531 notes = "kinetic monte carlo of si self interstitial
536 title = "Barrier to Migration of the Silicon
538 author = "Y. Bar-Yam and J. D. Joannopoulos",
539 journal = "Phys. Rev. Lett.",
542 pages = "1129--1132",
546 doi = "10.1103/PhysRevLett.52.1129",
547 publisher = "American Physical Society",
548 notes = "si self-interstitial migration barrier",
551 @Article{bar-yam84_2,
552 title = "Electronic structure and total-energy migration
553 barriers of silicon self-interstitials",
554 author = "Y. Bar-Yam and J. D. Joannopoulos",
555 journal = "Phys. Rev. B",
558 pages = "1844--1852",
562 doi = "10.1103/PhysRevB.30.1844",
563 publisher = "American Physical Society",
567 title = "First-principles calculations of self-diffusion
568 constants in silicon",
569 author = "Peter E. Bl{\"o}chl and Enrico Smargiassi and R. Car
570 and D. B. Laks and W. Andreoni and S. T. Pantelides",
571 journal = "Phys. Rev. Lett.",
574 pages = "2435--2438",
578 doi = "10.1103/PhysRevLett.70.2435",
579 publisher = "American Physical Society",
580 notes = "si self int diffusion by ab initio md, formation
581 entropy calculations",
585 title = "Defect migration in crystalline silicon",
586 author = "Lindsey J. Munro and David J. Wales",
587 journal = "Phys. Rev. B",
590 pages = "3969--3980",
594 doi = "10.1103/PhysRevB.59.3969",
595 publisher = "American Physical Society",
596 notes = "eigenvector following method, vacancy and interstiial
597 defect migration mechanisms",
601 title = "Tight-binding theory of native point defects in
603 author = "L. Colombo",
604 journal = "Annu. Rev. Mater. Res.",
609 doi = "10.1146/annurev.matsci.32.111601.103036",
610 publisher = "Annual Reviews",
611 notes = "si self interstitial, tbmd, virial stress",
614 @Article{al-mushadani03,
615 title = "Free-energy calculations of intrinsic point defects in
617 author = "O. K. Al-Mushadani and R. J. Needs",
618 journal = "Phys. Rev. B",
625 doi = "10.1103/PhysRevB.68.235205",
626 publisher = "American Physical Society",
627 notes = "formation energies of intrinisc point defects in
628 silicon, si self interstitials, free energy",
632 title = "Electronic surface error in the Si interstitial
634 author = "Ann E. Mattsson and Ryan R. Wixom and Rickard
636 journal = "Phys. Rev. B",
643 doi = "10.1103/PhysRevB.77.155211",
644 publisher = "American Physical Society",
645 notes = "si self interstitial formation energies by dft",
648 @Article{goedecker02,
649 title = "A Fourfold Coordinated Point Defect in Silicon",
650 author = "Stefan Goedecker and Thierry Deutsch and Luc Billard",
651 journal = "Phys. Rev. Lett.",
658 doi = "10.1103/PhysRevLett.88.235501",
659 publisher = "American Physical Society",
660 notes = "first time ffcd, fourfold coordinated point defect in
665 title = "Ab initio molecular dynamics simulation of
666 self-interstitial diffusion in silicon",
667 author = "Beat Sahli and Wolfgang Fichtner",
668 journal = "Phys. Rev. B",
675 doi = "10.1103/PhysRevB.72.245210",
676 publisher = "American Physical Society",
677 notes = "si self int, diffusion, barrier height, voronoi
682 title = "Ab initio calculations of the interaction between
683 native point defects in silicon",
684 journal = "Mater. Sci. Eng., B",
689 note = "EMRS 2005, Symposium D - Materials Science and Device
690 Issues for Future Technologies",
692 doi = "DOI: 10.1016/j.mseb.2005.08.072",
693 URL = "http://www.sciencedirect.com/science/article/B6TXF-4H6PKRB-3/2/e217bd3d7ee1fffee899eeb4a2f133a4",
694 author = "G. Hobler and G. Kresse",
695 notes = "vasp intrinsic si defect interaction study, capture
700 title = "Ab initio study of self-diffusion in silicon over a
701 wide temperature range: Point defect states and
702 migration mechanisms",
703 author = "Shangyi Ma and Shaoqing Wang",
704 journal = "Phys. Rev. B",
711 doi = "10.1103/PhysRevB.81.193203",
712 publisher = "American Physical Society",
713 notes = "si self interstitial diffusion + refs",
717 title = "Atomistic simulations on the thermal stability of the
718 antisite pair in 3{C}- and 4{H}-Si{C}",
719 author = "M. Posselt and F. Gao and W. J. Weber",
720 journal = "Phys. Rev. B",
727 doi = "10.1103/PhysRevB.73.125206",
728 publisher = "American Physical Society",
732 title = "Correlation between self-diffusion in Si and the
733 migration mechanisms of vacancies and
734 self-interstitials: An atomistic study",
735 author = "M. Posselt and F. Gao and H. Bracht",
736 journal = "Phys. Rev. B",
743 doi = "10.1103/PhysRevB.78.035208",
744 publisher = "American Physical Society",
745 notes = "si self-interstitial and vacancy diffusion, stillinger
750 title = "Ab initio and empirical-potential studies of defect
751 properties in $3{C}-Si{C}$",
752 author = "F. Gao and E. J. Bylaska and W. J. Weber and L. R.
754 journal = "Phys. Rev. B",
761 doi = "10.1103/PhysRevB.64.245208",
762 publisher = "American Physical Society",
763 notes = "defects in 3c-sic",
767 title = "Empirical potential approach for defect properties in
769 journal = "Nucl. Instrum. Methods Phys. Res. B",
776 doi = "DOI: 10.1016/S0168-583X(02)00600-6",
777 URL = "http://www.sciencedirect.com/science/article/B6TJN-453NR6B-G/2/e65b0730e94e13d66f72a2147b449ea7",
778 author = "Fei Gao and William J. Weber",
779 keywords = "Empirical potential",
780 keywords = "Defect properties",
781 keywords = "Silicon carbide",
782 keywords = "Computer simulation",
783 notes = "sic potential, brenner type, like erhart/albe",
787 title = "Atomistic study of intrinsic defect migration in
789 author = "Fei Gao and William J. Weber and M. Posselt and V.
791 journal = "Phys. Rev. B",
798 doi = "10.1103/PhysRevB.69.245205",
799 publisher = "American Physical Society",
800 notes = "defect migration in sic",
804 author = "F. Gao and J. Du and E. J. Bylaska and M. Posselt and
807 title = "Ab Initio atomic simulations of antisite pair recovery
808 in cubic silicon carbide",
811 journal = "Appl. Phys. Lett.",
817 keywords = "ab initio calculations; silicon compounds; antisite
818 defects; wide band gap semiconductors; molecular
819 dynamics method; density functional theory;
820 electron-hole recombination; photoluminescence;
821 impurities; diffusion",
822 URL = "http://link.aip.org/link/?APL/90/221915/1",
823 doi = "10.1063/1.2743751",
826 @Article{mattoni2002,
827 title = "Self-interstitial trapping by carbon complexes in
828 crystalline silicon",
829 author = "A. Mattoni and F. Bernardini and L. Colombo",
830 journal = "Phys. Rev. B",
837 doi = "10.1103/PhysRevB.66.195214",
838 publisher = "American Physical Society",
839 notes = "c in c-si, diffusion, interstitial configuration +
840 links, interaction of carbon and silicon interstitials,
841 tersoff suitability",
845 title = "Calculations of Silicon Self-Interstitial Defects",
846 author = "W.-K. Leung and R. J. Needs and G. Rajagopal and S.
848 journal = "Phys. Rev. Lett.",
851 pages = "2351--2354",
855 doi = "10.1103/PhysRevLett.83.2351",
856 publisher = "American Physical Society",
857 notes = "nice images of the defects, si defect overview +
862 title = "Identification of the migration path of interstitial
864 author = "R. B. Capaz and A. {Dal Pino} and J. D. Joannopoulos",
865 journal = "Phys. Rev. B",
868 pages = "7439--7442",
872 doi = "10.1103/PhysRevB.50.7439",
873 publisher = "American Physical Society",
874 notes = "carbon interstitial migration path shown, 001 c-si
879 title = "Theory of carbon-carbon pairs in silicon",
880 author = "R. B. Capaz and A. {Dal Pino} and J. D. Joannopoulos",
881 journal = "Phys. Rev. B",
884 pages = "9845--9850",
888 doi = "10.1103/PhysRevB.58.9845",
889 publisher = "American Physical Society",
890 notes = "c_i c_s pair configuration, theoretical results",
894 title = "Bistable interstitial-carbon--substitutional-carbon
896 author = "L. W. Song and X. D. Zhan and B. W. Benson and G. D.
898 journal = "Phys. Rev. B",
901 pages = "5765--5783",
905 doi = "10.1103/PhysRevB.42.5765",
906 publisher = "American Physical Society",
907 notes = "c_i c_s pair configuration, experimental results",
911 author = "Chun-Li Liu and Wolfgang Windl and Len Borucki and
912 Shifeng Lu and Xiang-Yang Liu",
914 title = "Ab initio modeling and experimental study of {C}--{B}
918 journal = "Appl. Phys. Lett.",
922 keywords = "silicon; boron; carbon; elemental semiconductors;
923 impurity-defect interactions; ab initio calculations;
924 secondary ion mass spectra; diffusion; interstitials",
925 URL = "http://link.aip.org/link/?APL/80/52/1",
926 doi = "10.1063/1.1430505",
927 notes = "c-c 100 split, lower as a and b states of capaz",
931 title = "Ab initio investigation of carbon-related defects in
933 author = "A. {Dal Pino} and Andrew M. Rappe and J. D.
935 journal = "Phys. Rev. B",
938 pages = "12554--12557",
942 doi = "10.1103/PhysRevB.47.12554",
943 publisher = "American Physical Society",
944 notes = "c interstitials in crystalline silicon",
948 title = "Microscopic Theory of Atomic Diffusion Mechanisms in
950 author = "Roberto Car and Paul J. Kelly and Atsushi Oshiyama and
951 Sokrates T. Pantelides",
952 journal = "Phys. Rev. Lett.",
955 pages = "1814--1817",
959 doi = "10.1103/PhysRevLett.52.1814",
960 publisher = "American Physical Society",
961 notes = "microscopic theory diffusion silicon dft migration
966 title = "Unified Approach for Molecular Dynamics and
967 Density-Functional Theory",
968 author = "R. Car and M. Parrinello",
969 journal = "Phys. Rev. Lett.",
972 pages = "2471--2474",
976 doi = "10.1103/PhysRevLett.55.2471",
977 publisher = "American Physical Society",
978 notes = "car parrinello method, dft and md",
982 title = "Short-range order, bulk moduli, and physical trends in
983 c-$Si1-x$$Cx$ alloys",
984 author = "P. C. Kelires",
985 journal = "Phys. Rev. B",
988 pages = "8784--8787",
992 doi = "10.1103/PhysRevB.55.8784",
993 publisher = "American Physical Society",
994 notes = "c strained si, montecarlo md, bulk moduli, next
999 title = "Monte Carlo Studies of Ternary Semiconductor Alloys:
1000 Application to the $Si1-x-yGexCy$ System",
1001 author = "P. C. Kelires",
1002 journal = "Phys. Rev. Lett.",
1005 pages = "1114--1117",
1009 doi = "10.1103/PhysRevLett.75.1114",
1010 publisher = "American Physical Society",
1011 notes = "mc md, strain compensation in si ge by c insertion",
1015 title = "Low temperature electron irradiation of silicon
1017 journal = "Solid State Commun.",
1024 doi = "DOI: 10.1016/0038-1098(70)90074-8",
1025 URL = "http://www.sciencedirect.com/science/article/B6TVW-46MF8S4-156/2/5f4d9c189a3d97227fde9214195aa081",
1026 author = "A. R. Bean and R. C. Newman",
1030 author = "F. Durand and J. Duby",
1031 affiliation = "EPM-Madylam, CNRS and INP Grenoble, France",
1032 title = "Carbon solubility in solid and liquid silicon—{A}
1033 review with reference to eutectic equilibrium",
1034 journal = "Journal of Phase Equilibria",
1035 publisher = "Springer New York",
1037 keyword = "Chemistry and Materials Science",
1041 URL = "http://dx.doi.org/10.1361/105497199770335956",
1042 note = "10.1361/105497199770335956",
1044 notes = "better c solubility limit in silicon",
1048 title = "{EPR} Observation of the Isolated Interstitial Carbon
1050 author = "G. D. Watkins and K. L. Brower",
1051 journal = "Phys. Rev. Lett.",
1054 pages = "1329--1332",
1058 doi = "10.1103/PhysRevLett.36.1329",
1059 publisher = "American Physical Society",
1060 notes = "epr observations of 100 interstitial carbon atom in
1065 title = "{EPR} identification of the single-acceptor state of
1066 interstitial carbon in silicon",
1067 author = "L. W. Song and G. D. Watkins",
1068 journal = "Phys. Rev. B",
1071 pages = "5759--5764",
1075 doi = "10.1103/PhysRevB.42.5759",
1076 publisher = "American Physical Society",
1077 notes = "carbon diffusion in silicon",
1081 author = "A K Tipping and R C Newman",
1082 title = "The diffusion coefficient of interstitial carbon in
1084 journal = "Semicond. Sci. Technol.",
1088 URL = "http://stacks.iop.org/0268-1242/2/315",
1090 notes = "diffusion coefficient of carbon interstitials in
1095 author = "Seiichi Isomae and Tsutomu Ishiba and Toshio Ando and
1098 title = "Annealing behavior of Me{V} implanted carbon in
1102 journal = "J. Appl. Phys.",
1105 pages = "3815--3820",
1106 keywords = "SILICON; ION IMPLANTATION; WAFERS; CARBON IONS; MEV
1107 RANGE 0110; TEM; SIMS; INFRARED SPECTRA; STRAINS; DEPTH
1109 URL = "http://link.aip.org/link/?JAP/74/3815/1",
1110 doi = "10.1063/1.354474",
1111 notes = "c at interstitial location for rt implantation in si",
1115 title = "Carbon incorporation into Si at high concentrations by
1116 ion implantation and solid phase epitaxy",
1117 author = "J. W. Strane and S. R. Lee and H. J. Stein and S. T.
1118 Picraux and J. K. Watanabe and J. W. Mayer",
1119 journal = "J. Appl. Phys.",
1124 doi = "10.1063/1.360806",
1125 notes = "strained silicon, carbon supersaturation",
1128 @Article{laveant2002,
1129 title = "Epitaxy of carbon-rich silicon with {MBE}",
1130 journal = "Mater. Sci. Eng., B",
1136 doi = "DOI: 10.1016/S0921-5107(01)00794-2",
1137 URL = "http://www.sciencedirect.com/science/article/B6TXF-44YVPGS-1V/2/024ece074ad18ebbec62a39a2510a268",
1138 author = "P. Lav\'eant and G. Gerth and P. Werner and U.
1140 notes = "low c in si, tensile stress to compensate compressive
1141 stress, avoid sic precipitation",
1145 title = "The formation of swirl defects in silicon by
1146 agglomeration of self-interstitials",
1147 journal = "J. Cryst. Growth",
1154 doi = "DOI: 10.1016/0022-0248(77)90034-3",
1155 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BWB4Y-44/2/bddfd69e99369473feebcdc41692dddb",
1156 author = "H. Föll and U. Gösele and B. O. Kolbesen",
1157 notes = "b-swirl: si + c interstitial agglomerates, c-si
1162 title = "Microdefects in silicon and their relation to point
1164 journal = "J. Cryst. Growth",
1171 doi = "DOI: 10.1016/0022-0248(81)90397-3",
1172 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46MD42X-90/2/a482c31bf9e2faeed71b7109be601078",
1173 author = "H. Föll and U. Gösele and B. O. Kolbesen",
1174 notes = "swirl review",
1178 author = "P. Werner and S. Eichler and G. Mariani and R.
1179 K{\"{o}}gler and W. Skorupa",
1180 title = "Investigation of {C}[sub x]Si defects in {C} implanted
1181 silicon by transmission electron microscopy",
1184 journal = "Appl. Phys. Lett.",
1188 keywords = "silicon; ion implantation; carbon; crystal defects;
1189 transmission electron microscopy; annealing; positron
1190 annihilation; secondary ion mass spectroscopy; buried
1191 layers; precipitation",
1192 URL = "http://link.aip.org/link/?APL/70/252/1",
1193 doi = "10.1063/1.118381",
1194 notes = "si-c complexes, agglomerate, sic in si matrix, sic
1198 @InProceedings{werner96,
1199 author = "P. Werner and R. K{\"{o}}gler and W. Skorupa and D.
1201 booktitle = "Proceedings of the 11th International Conference on
1202 Ion Implantation Technology.",
1203 title = "{TEM} investigation of {C}-Si defects in carbon
1210 doi = "10.1109/IIT.1996.586497",
1212 notes = "c-si agglomerates dumbbells",
1216 author = "P. Werner and U. G{\"{o}}sele and H.-J. Gossmann and
1219 title = "Carbon diffusion in silicon",
1222 journal = "Appl. Phys. Lett.",
1225 pages = "2465--2467",
1226 keywords = "silicon; carbon; elemental semiconductors; diffusion;
1227 secondary ion mass spectra; semiconductor epitaxial
1228 layers; annealing; impurity-defect interactions;
1229 impurity distribution",
1230 URL = "http://link.aip.org/link/?APL/73/2465/1",
1231 doi = "10.1063/1.122483",
1232 notes = "c diffusion in si, kick out mechnism",
1236 author = "J. P. Kalejs and L. A. Ladd and U. G{\"{o}}sele",
1238 title = "Self-interstitial enhanced carbon diffusion in
1242 journal = "Appl. Phys. Lett.",
1246 keywords = "PHOSPHORUS; INTERSTITIALS; SILICON; PHOSPHORUS;
1247 CARBON; DIFFUSION; ANNEALING; ATOM TRANSPORT; VERY HIGH
1248 TEMPERATURE; IMPURITIES",
1249 URL = "http://link.aip.org/link/?APL/45/268/1",
1250 doi = "10.1063/1.95167",
1251 notes = "c diffusion due to si self-interstitials",
1255 author = "Akira Fukami and Ken-ichi Shoji and Takahiro Nagano
1258 title = "Characterization of SiGe/Si heterostructures formed by
1259 Ge[sup + ] and {C}[sup + ] implantation",
1262 journal = "Appl. Phys. Lett.",
1265 pages = "2345--2347",
1266 keywords = "HETEROJUNCTIONS; ION IMPLANTATION; HETEROSTRUCTURES;
1267 FABRICATION; PN JUNCTIONS; LEAKAGE CURRENT; GERMANIUM
1268 SILICIDES; SILICON; ELECTRICAL PROPERTIES; SOLIDPHASE
1269 EPITAXY; CARBON IONS; GERMANIUM IONS",
1270 URL = "http://link.aip.org/link/?APL/57/2345/1",
1271 doi = "10.1063/1.103888",
1275 author = "J. W. Strane and H. J. Stein and S. R. Lee and B. L.
1276 Doyle and S. T. Picraux and J. W. Mayer",
1278 title = "Metastable SiGe{C} formation by solid phase epitaxy",
1281 journal = "Appl. Phys. Lett.",
1284 pages = "2786--2788",
1285 keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; TERNARY ALLOY
1286 SYSTEMS; EPITAXY; ION IMPLANTATION; METASTABLE STATES;
1287 ANNEALING; TRANSMISSION ELECTRON MICROSCOPY; RUTHERFORD
1288 SCATTERING; XRAY DIFFRACTION; STRAINS; SOLIDPHASE
1289 EPITAXY; AMORPHIZATION",
1290 URL = "http://link.aip.org/link/?APL/63/2786/1",
1291 doi = "10.1063/1.110334",
1295 author = "M. S. Goorsky and S. S. Iyer and K. Eberl and F.
1296 Legoues and J. Angilello and F. Cardone",
1298 title = "Thermal stability of Si[sub 1 - x]{C}[sub x]/Si
1299 strained layer superlattices",
1302 journal = "Appl. Phys. Lett.",
1305 pages = "2758--2760",
1306 keywords = "SILICON ALLOYS; CARBON ALLOYS; BINARY ALLOYS;
1307 MOLECULAR BEAM EPITAXY; SUPERLATTICES; ANNEALING;
1308 CHEMICAL COMPOSITION; INTERNAL STRAINS; STRESS
1309 RELAXATION; THERMAL INSTABILITIES; INTERFACE STRUCTURE;
1310 DIFFUSION; PRECIPITATION; TEMPERATURE EFFECTS",
1311 URL = "http://link.aip.org/link/?APL/60/2758/1",
1312 doi = "10.1063/1.106868",
1316 author = "J. W. Strane and H. J. Stein and S. R. Lee and S. T.
1317 Picraux and J. K. Watanabe and J. W. Mayer",
1319 title = "Precipitation and relaxation in strained Si[sub 1 -
1320 y]{C}[sub y]/Si heterostructures",
1323 journal = "J. Appl. Phys.",
1326 pages = "3656--3668",
1327 keywords = "SILICON CARBIDES; SILICON; PRECIPITATION; STRAINS",
1328 URL = "http://link.aip.org/link/?JAP/76/3656/1",
1329 doi = "10.1063/1.357429",
1330 notes = "strained si-c to 3c-sic, carbon nucleation + refs,
1331 precipitation by substitutional carbon, coherent prec,
1332 coherent to incoherent transition strain vs interface
1337 author = "G. G. Fischer and P. Zaumseil and E. Bugiel and H. J.
1340 title = "Investigation of the high temperature behavior of
1341 strained Si[sub 1 - y]{C}[sub y] /Si heterostructures",
1344 journal = "J. Appl. Phys.",
1347 pages = "1934--1937",
1348 keywords = "SILICON CARBIDES; SILICON; HETEROSTRUCTURES; STRAINS;
1349 XRD; MOLECULAR BEAM EPITAXY; STABILITY; TENSILE
1350 PROPERTIES; EPITAXIAL LAYERS; ANNEALING; PRECIPITATION;
1351 TEMPERATURE RANGE 04001000 K",
1352 URL = "http://link.aip.org/link/?JAP/77/1934/1",
1353 doi = "10.1063/1.358826",
1357 title = "Prospects for device implementation of wide band gap
1359 author = "J. H. Edgar",
1360 journal = "J. Mater. Res.",
1365 doi = "10.1557/JMR.1992.0235",
1366 notes = "properties wide band gap semiconductor, sic
1370 @Article{zirkelbach2007,
1371 title = "Monte Carlo simulation study of a selforganisation
1372 process leading to ordered precipitate structures",
1373 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1375 journal = "Nucl. Instr. and Meth. B",
1382 doi = "doi:10.1016/j.nimb.2006.12.118",
1383 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
1385 abstract = "Periodically arranged, selforganised, nanometric,
1386 amorphous precipitates have been observed after
1387 high-fluence ion implantations into solids for a number
1388 of ion/target combinations at certain implantation
1389 conditions. A model describing the ordering process
1390 based on compressive stress exerted by the amorphous
1391 inclusions as a result of the density change upon
1392 amorphisation is introduced. A Monte Carlo simulation
1393 code, which focuses on high-fluence carbon
1394 implantations into silicon, is able to reproduce
1395 experimentally observed nanolamella distributions as
1396 well as the formation of continuous amorphous layers.
1397 By means of simulation, the selforganisation process
1398 becomes traceable and detailed information about the
1399 compositional and structural state during the ordering
1400 process is obtained. Based on simulation results, a
1401 recipe is proposed for producing broad distributions of
1402 ordered lamellar structures.",
1405 @Article{zirkelbach2006,
1406 title = "Monte-Carlo simulation study of the self-organization
1407 of nanometric amorphous precipitates in regular arrays
1408 during ion irradiation",
1409 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1411 journal = "Nucl. Instr. and Meth. B",
1418 doi = "doi:10.1016/j.nimb.2005.08.162",
1419 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
1421 abstract = "High-dose ion implantation of materials that undergo
1422 drastic density change upon amorphization at certain
1423 implantation conditions results in periodically
1424 arranged, self-organized, nanometric configurations of
1425 the amorphous phase. A simple model explaining the
1426 phenomenon is introduced and implemented in a
1427 Monte-Carlo simulation code. Through simulation
1428 conditions for observing lamellar precipitates are
1429 specified and additional information about the
1430 compositional and structural state during the ordering
1431 process is gained.",
1434 @Article{zirkelbach2005,
1435 title = "Modelling of a selforganization process leading to
1436 periodic arrays of nanometric amorphous precipitates by
1438 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1440 journal = "Comp. Mater. Sci.",
1447 doi = "doi:10.1016/j.commatsci.2004.12.016",
1448 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
1450 abstract = "Ion irradiation of materials, which undergo a drastic
1451 density change upon amorphization have been shown to
1452 exhibit selforganized, nanometric structures of the
1453 amorphous phase in the crystalline host lattice. In
1454 order to better understand the process a
1455 Monte-Carlo-simulation code based on a simple model is
1456 developed. In the present work we focus on high-dose
1457 carbon implantations into silicon. The simulation is
1458 able to reproduce results gained by cross-sectional TEM
1459 measurements of high-dose carbon implanted silicon.
1460 Necessary conditions can be specified for the
1461 self-organization process and information is gained
1462 about the compositional and structural state during the
1463 ordering process which is difficult to be obtained by
1467 @Article{zirkelbach09,
1468 title = "Molecular dynamics simulation of defect formation and
1469 precipitation in heavily carbon doped silicon",
1470 journal = "Mater. Sci. Eng., B",
1475 note = "EMRS 2008 Spring Conference Symposium K: Advanced
1476 Silicon Materials Research for Electronic and
1477 Photovoltaic Applications",
1479 doi = "DOI: 10.1016/j.mseb.2008.10.010",
1480 URL = "http://www.sciencedirect.com/science/article/B6TXF-4TX1547-2/2/cb9f4921f324735087020ccce7843e39",
1481 author = "F. Zirkelbach and J. K. N. Lindner and K. Nordlund and
1483 keywords = "Silicon",
1484 keywords = "Carbon",
1485 keywords = "Silicon carbide",
1486 keywords = "Nucleation",
1487 keywords = "Defect formation",
1488 keywords = "Molecular dynamics simulations",
1489 abstract = "The precipitation process of silicon carbide in
1490 heavily carbon doped silicon is not yet fully
1491 understood. High resolution transmission electron
1492 microscopy observations suggest that in a first step
1493 carbon atoms form C-Si dumbbells on regular Si lattice
1494 sites which agglomerate into large clusters. In a
1495 second step, when the cluster size reaches a radius of
1496 a few nm, the high interfacial energy due to the SiC/Si
1497 lattice misfit of almost 20\% is overcome and the
1498 precipitation occurs. By simulation, details of the
1499 precipitation process can be obtained on the atomic
1500 level. A recently proposed parametrization of a
1501 Tersoff-like bond order potential is used to model the
1502 system appropriately. Preliminary results gained by
1503 molecular dynamics simulations using this potential are
1507 @Article{zirkelbach10,
1508 title = "Defects in carbon implanted silicon calculated by
1509 classical potentials and first-principles methods",
1510 author = "F. Zirkelbach and B. Stritzker and K. Nordlund and J.
1511 K. N. Lindner and W. G. Schmidt and E. Rauls",
1512 journal = "Phys. Rev. B",
1519 doi = "10.1103/PhysRevB.82.094110",
1520 publisher = "American Physical Society",
1521 abstract = "A comparative theoretical investigation of carbon
1522 interstitials in silicon is presented. Calculations
1523 using classical potentials are compared to
1524 first-principles density-functional theory calculations
1525 of the geometries, formation, and activation energies
1526 of the carbon dumbbell interstitial, showing the
1527 importance of a quantum-mechanical description of this
1528 system. In contrast to previous studies, the present
1529 first-principles calculations of the interstitial
1530 carbon migration path yield an activation energy that
1531 excellently matches the experiment. The bond-centered
1532 interstitial configuration shows a net magnetization of
1533 two electrons, illustrating the need for spin-polarized
1537 @Article{zirkelbach11,
1538 journal = "Phys. Rev. B",
1540 URL = "http://link.aps.org/doi/10.1103/PhysRevB.84.064126",
1541 publisher = "American Physical Society",
1542 author = "F. Zirkelbach and B. Stritzker and K. Nordlund and J.
1543 K. N. Lindner and W. G. Schmidt and E. Rauls",
1544 title = "Combined \textit{ab initio} and classical potential
1545 simulation study on silicon carbide precipitation in
1551 doi = "10.1103/PhysRevB.84.064126",
1553 abstract = "Atomistic simulations on the silicon carbide
1554 precipitation in bulk silicon employing both, classical
1555 potential and first-principles methods are presented.
1556 The calculations aim at a comprehensive, microscopic
1557 understanding of the precipitation mechanism in the
1558 context of controversial discussions in the literature.
1559 For the quantum-mechanical treatment, basic processes
1560 assumed in the precipitation process are calculated in
1561 feasible systems of small size. The migration mechanism
1562 of a carbon \hkl<1 0 0> interstitial and silicon \hkl<1
1563 1 0> self-interstitial in otherwise defect-free silicon
1564 are investigated using density functional theory
1565 calculations. The influence of a nearby vacancy,
1566 another carbon interstitial and a substitutional defect
1567 as well as a silicon self-interstitial has been
1568 investigated systematically. Interactions of various
1569 combinations of defects have been characterized
1570 including a couple of selected migration pathways
1571 within these configurations. Almost all of the
1572 investigated pairs of defects tend to agglomerate
1573 allowing for a reduction in strain. The formation of
1574 structures involving strong carbon-carbon bonds turns
1575 out to be very unlikely. In contrast, substitutional
1576 carbon occurs in all probability. A long range capture
1577 radius has been observed for pairs of interstitial
1578 carbon as well as interstitial carbon and vacancies. A
1579 rather small capture radius is predicted for
1580 substitutional carbon and silicon self-interstitials.
1581 Initial assumptions regarding the precipitation
1582 mechanism of silicon carbide in bulk silicon are
1583 established and conformability to experimental findings
1584 is discussed. Furthermore, results of the accurate
1585 first-principles calculations on defects and carbon
1586 diffusion in silicon are compared to results of
1587 classical potential simulations revealing significant
1588 limitations of the latter method. An approach to work
1589 around this problem is proposed. Finally, results of
1590 the classical potential molecular dynamics simulations
1591 of large systems are examined, which reinforce previous
1592 assumptions and give further insight into basic
1593 processes involved in the silicon carbide transition.",
1596 @Article{zirkelbach12,
1597 author = "F. Zirkelbach and B. Stritzker and K. Nordlund and W.
1598 G. Schmidt and E. Rauls and J. K. N. Lindner",
1599 title = "First-principles and empirical potential simulation
1600 study of intrinsic and carbon-related defects in
1602 journal = "phys. status solidi (c)",
1605 publisher = "WILEY-VCH Verlag",
1607 URL = "http://dx.doi.org/10.1002/pssc.201200198",
1608 doi = "10.1002/pssc.201200198",
1609 pages = "1968--1973",
1610 keywords = "silicon, carbon, silicon carbide, defect formation,
1611 defect migration, density functional theory, empirical
1612 potential, molecular dynamics",
1614 abstract = "Results of atomistic simulations aimed at
1615 understanding precipitation of the highly attractive
1616 wide band gap semiconductor material silicon carbide in
1617 silicon are presented. The study involves a systematic
1618 investigation of intrinsic and carbon-related defects
1619 as well as defect combinations and defect migration by
1620 both, quantummechanical first-principles as well as
1621 empirical potential methods. Comparing formation and
1622 activation energies, ground-state structures of defects
1623 and defect combinations as well as energetically
1624 favorable agglomeration of defects are predicted.
1625 Moreover, accurate ab initio calculations unveil
1626 limitations of the analytical method based on a
1627 Tersoff-like bond order potential. A work-around is
1628 proposed in order to subsequently apply the highly
1629 efficient technique on large structures not accessible
1630 by first-principles methods. The outcome of both types
1631 of simulation provides a basic microscopic
1632 understanding of defect formation and structural
1633 evolution particularly at non-equilibrium conditions
1634 strongly deviated from the ground state as commonly
1635 found in SiC growth processes. A possible precipitation
1636 mechanism, which conforms well to experimental findings
1637 and clarifies contradictory views present in the
1638 literature is outlined (© 2012 WILEY-VCH Verlag GmbH \&
1639 Co. KGaA, Weinheim)",
1642 @Article{zirkelbach14,
1643 author = "F. Zirkelbach and P.-Y. Prodhomme and P. Han and R.
1644 Cherian and G. Bester",
1645 title = "Large-scale Atomic Effective Pseudopotential Program
1646 ({LATEPP}) including an efficient spin-orbit coupling
1647 treatment in real space",
1648 journal = "to be published",
1650 abstract = "Within the scheme of the {\em Large-scale Atomic
1651 Effective Pseudopotential Program}, the Schr{\"o}dinger
1652 equation of an electronic system is solved within an
1653 effective single-particle approach. Although not
1654 limited to, it focuses on the recently introduced
1655 atomic effective pseudopotentials derived from screened
1656 local effective crystal potentials as obtained from
1657 self-consistent density functional theory calculations.
1658 Plane waves are used to expand the wavefunctions. The
1659 problem can be solved in both, real and reciprocal
1660 space. Using atomic effective pseudopotentials, a
1661 self-consistency cycle is not required, which
1662 drastically reduces the computational effort.
1663 Furthermore, without having to find a self-consistent
1664 solution, which would require the determination of all
1665 eigenstates, iterative solvers can be used to focus
1666 only on a few eigenstates in the vicinity of a
1667 reference energy, e.g.\ around the band gap of a
1668 semiconductor. Hence, this approach is particularly
1669 well suited for theoretical investigations of the
1670 electronic structure of semiconductor nanostructures
1671 consisting of up to several thousands of atoms.
1672 Moreover, a novel and efficient real space treatment of
1673 spin-orbit coupling within the pseudopotential
1674 framework is proposed in this work allowing for a fully
1675 relativistic description.",
1679 author = "J. K. N. Lindner and A. Frohnwieser and B.
1680 Rauschenbach and B. Stritzker",
1681 title = "ke{V}- and Me{V}- Ion Beam Synthesis of Buried Si{C}
1683 journal = "MRS Proc.",
1688 doi = "10.1557/PROC-354-171",
1689 URL = "http://dx.doi.org/10.1557/PROC-354-171",
1690 notes = "first time ibs at moderate temperatures",
1694 title = "Formation of buried epitaxial silicon carbide layers
1695 in silicon by ion beam synthesis",
1696 journal = "Mater. Chem. Phys.",
1703 doi = "DOI: 10.1016/S0254-0584(97)80008-9",
1704 URL = "http://www.sciencedirect.com/science/article/B6TX4-3VSGY9S-8/2/f001f23c0b3bc0fc3fc683616588fbc7",
1705 author = "J. K. N. Lindner and K. Volz and U. Preckwinkel and B.
1706 Götz and A. Frohnwieser and B. Rauschenbach and B.
1708 notes = "dose window",
1711 @Article{calcagno96,
1712 title = "Carbon clustering in Si[sub 1-x]{C}[sub x] formed by
1714 journal = "Nucl. Instrum. Methods Phys. Res. B",
1719 note = "Proceedings of the E-MRS '96 Spring Meeting Symp. I on
1720 New Trends in Ion Beam Processing of Materials",
1722 doi = "DOI: 10.1016/S0168-583X(96)00492-2",
1723 URL = "http://www.sciencedirect.com/science/article/B6TJN-3VSHB0W-1S/2/164b9f4f972a02f44b341b0de28bba1d",
1724 author = "L. Calcagno and G. Compagnini and G. Foti and M. G.
1725 Grimaldi and P. Musumeci",
1726 notes = "dose window, graphitic bonds",
1730 title = "Mechanisms of Si{C} Formation in the Ion Beam
1731 Synthesis of 3{C}-Si{C} Layers in Silicon",
1732 journal = "Mater. Sci. Forum",
1737 doi = "10.4028/www.scientific.net/MSF.264-268.215",
1738 URL = "http://www.scientific.net/MSF.264-268.215",
1739 author = "J. K. N. Lindner and W. Reiber and B. Stritzker",
1740 notes = "intermediate temperature for sharp interface + good
1745 title = "Controlling the density distribution of Si{C}
1746 nanocrystals for the ion beam synthesis of buried Si{C}
1748 journal = "Nucl. Instrum. Methods Phys. Res. B",
1755 doi = "DOI: 10.1016/S0168-583X(98)00598-9",
1756 URL = "http://www.sciencedirect.com/science/article/B6TJN-3YMWWDY-1H/2/ad53e614f783b2a7474aecb936dd0169",
1757 author = "J. K. N. Lindner and B. Stritzker",
1758 notes = "two-step implantation process",
1761 @Article{lindner99_2,
1762 title = "Mechanisms in the ion beam synthesis of Si{C} layers
1764 journal = "Nucl. Instrum. Methods Phys. Res. B",
1770 doi = "DOI: 10.1016/S0168-583X(98)00787-3",
1771 URL = "http://www.sciencedirect.com/science/article/B6TJN-3XGFSSH-3H/2/17d138baa6db68cb279e6de9161e5f85",
1772 author = "J. K. N. Lindner and B. Stritzker",
1773 notes = "3c-sic precipitation model, c-si dimers (dumbbells)",
1777 title = "Ion beam synthesis of buried Si{C} layers in silicon:
1778 Basic physical processes",
1779 journal = "Nucl. Instrum. Methods Phys. Res. B",
1786 doi = "DOI: 10.1016/S0168-583X(01)00504-3",
1787 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KG96-8/2/f222574d8945c3fd7aaf9ae1efdd37b3",
1788 author = "J{\"{o}}rg K. N. Lindner",
1792 title = "High-dose carbon implantations into silicon:
1793 fundamental studies for new technological tricks",
1794 author = "J. K. N. Lindner",
1795 journal = "Appl. Phys. A",
1799 doi = "10.1007/s00339-002-2062-8",
1800 notes = "ibs, burried sic layers",
1804 title = "On the balance between ion beam induced nanoparticle
1805 formation and displacive precipitate resolution in the
1807 journal = "Mater. Sci. Eng., C",
1812 note = "Current Trends in Nanoscience - from Materials to
1815 doi = "DOI: 10.1016/j.msec.2005.09.099",
1816 URL = "http://www.sciencedirect.com/science/article/B6TXG-4HSXVVM-1/2/5b0e351198cc2e8f5f4446a80a73d04a",
1817 author = "J. K. N. Lindner and M. H{\"a}berlen and G. Thorwarth
1819 notes = "c int diffusion barrier",
1822 @Article{haeberlen10,
1823 title = "Structural characterization of cubic and hexagonal
1824 Ga{N} thin films grown by {IBA}-{MBE} on Si{C}/Si",
1825 journal = "Journal of Crystal Growth",
1832 doi = "10.1016/j.jcrysgro.2009.12.048",
1833 URL = "http://www.sciencedirect.com/science/article/pii/S0022024809011452",
1834 author = "M. H{\"a}berlen and J. W. Gerlach and B. Murphy and J.
1835 K. N. Lindner and B. Stritzker",
1839 title = "Ion beam synthesis of 3{C}-Si{C} layers in Si and its
1840 application in buffer layer for Ga{N} epitaxial
1842 journal = "Appl. Surf. Sci.",
1847 note = "APHYS'03 Special Issue",
1849 doi = "DOI: 10.1016/j.apsusc.2004.05.199",
1850 URL = "http://www.sciencedirect.com/science/article/B6THY-4CTTNGX-B/2/d24ee637db87f3f1a6ef7fe6820f267c",
1851 author = "Y. Ito and T. Yamauchi and A. Yamamoto and M. Sasase
1852 and S. Nishio and K. Yasuda and Y. Ishigami",
1853 notes = "gan on 3c-sic, focus on ibs of 3c-sic",
1856 @Article{yamamoto04,
1857 title = "Organometallic vapor phase epitaxial growth of Ga{N}
1858 on a 3c-Si{C}/Si(1 1 1) template formed by {C}+-ion
1859 implantation into Si(1 1 1) substrate",
1860 journal = "J. Cryst. Growth",
1865 note = "Proceedings of the 11th Biennial (US) Workshop on
1866 Organometallic Vapor Phase Epitaxy (OMVPE)",
1868 doi = "DOI: 10.1016/j.jcrysgro.2003.11.041",
1869 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4B5BFSX-2/2/55e79e024f2a23b487d19c6fd8dbf166",
1870 author = "A. Yamamoto and T. Yamauchi and T. Tanikawa and M.
1871 Sasase and B. K. Ghosh and A. Hashimoto and Y. Ito",
1872 notes = "gan on 3c-sic",
1876 title = "Substrates for gallium nitride epitaxy",
1877 journal = "Mater. Sci. Eng., R",
1884 doi = "DOI: 10.1016/S0927-796X(02)00008-6",
1885 URL = "http://www.sciencedirect.com/science/article/B6TXH-45DFBSV-2/2/38c47e77fa91f23f8649a044e7135401",
1886 author = "L. Liu and J. H. Edgar",
1887 notes = "gan substrates",
1890 @Article{takeuchi91,
1891 title = "Growth of single crystalline Ga{N} film on Si
1892 substrate using 3{C}-Si{C} as an intermediate layer",
1893 journal = "J. Cryst. Growth",
1900 doi = "DOI: 10.1016/0022-0248(91)90817-O",
1901 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46FJ525-TY/2/7bb50016a50b1dd1dbc36b43c46b3140",
1902 author = "Tetsuya Takeuchi and Hiroshi Amano and Kazumasa
1903 Hiramatsu and Nobuhiko Sawaki and Isamu Akasaki",
1904 notes = "gan on 3c-sic (first time?)",
1908 author = "B. J. Alder and T. E. Wainwright",
1909 title = "Phase Transition for a Hard Sphere System",
1912 journal = "J. Chem. Phys.",
1915 pages = "1208--1209",
1916 URL = "http://link.aip.org/link/?JCP/27/1208/1",
1917 doi = "10.1063/1.1743957",
1921 author = "B. J. Alder and T. E. Wainwright",
1922 title = "Studies in Molecular Dynamics. {I}. General Method",
1925 journal = "J. Chem. Phys.",
1929 URL = "http://link.aip.org/link/?JCP/31/459/1",
1930 doi = "10.1063/1.1730376",
1933 @Article{horsfield96,
1934 title = "Bond-order potentials: Theory and implementation",
1935 author = "A. P. Horsfield and A. M. Bratkovsky and M. Fearn and
1936 D. G. Pettifor and M. Aoki",
1937 journal = "Phys. Rev. B",
1940 pages = "12694--12712",
1944 doi = "10.1103/PhysRevB.53.12694",
1945 publisher = "American Physical Society",
1949 title = "Empirical chemical pseudopotential theory of molecular
1950 and metallic bonding",
1951 author = "G. C. Abell",
1952 journal = "Phys. Rev. B",
1955 pages = "6184--6196",
1959 doi = "10.1103/PhysRevB.31.6184",
1960 publisher = "American Physical Society",
1963 @Article{tersoff_si1,
1964 title = "New empirical model for the structural properties of
1966 author = "J. Tersoff",
1967 journal = "Phys. Rev. Lett.",
1974 doi = "10.1103/PhysRevLett.56.632",
1975 publisher = "American Physical Society",
1979 title = "Development of a many-body Tersoff-type potential for
1981 author = "Brian W. Dodson",
1982 journal = "Phys. Rev. B",
1985 pages = "2795--2798",
1989 doi = "10.1103/PhysRevB.35.2795",
1990 publisher = "American Physical Society",
1993 @Article{tersoff_si2,
1994 title = "New empirical approach for the structure and energy of
1996 author = "J. Tersoff",
1997 journal = "Phys. Rev. B",
2000 pages = "6991--7000",
2004 doi = "10.1103/PhysRevB.37.6991",
2005 publisher = "American Physical Society",
2008 @Article{tersoff_si3,
2009 title = "Empirical interatomic potential for silicon with
2010 improved elastic properties",
2011 author = "J. Tersoff",
2012 journal = "Phys. Rev. B",
2015 pages = "9902--9905",
2019 doi = "10.1103/PhysRevB.38.9902",
2020 publisher = "American Physical Society",
2024 title = "Empirical Interatomic Potential for Carbon, with
2025 Applications to Amorphous Carbon",
2026 author = "J. Tersoff",
2027 journal = "Phys. Rev. Lett.",
2030 pages = "2879--2882",
2034 doi = "10.1103/PhysRevLett.61.2879",
2035 publisher = "American Physical Society",
2039 title = "Modeling solid-state chemistry: Interatomic potentials
2040 for multicomponent systems",
2041 author = "J. Tersoff",
2042 journal = "Phys. Rev. B",
2045 pages = "5566--5568",
2049 doi = "10.1103/PhysRevB.39.5566",
2050 publisher = "American Physical Society",
2054 title = "Carbon defects and defect reactions in silicon",
2055 author = "J. Tersoff",
2056 journal = "Phys. Rev. Lett.",
2059 pages = "1757--1760",
2063 doi = "10.1103/PhysRevLett.64.1757",
2064 publisher = "American Physical Society",
2068 title = "Point defects and dopant diffusion in silicon",
2069 author = "P. M. Fahey and P. B. Griffin and J. D. Plummer",
2070 journal = "Rev. Mod. Phys.",
2077 doi = "10.1103/RevModPhys.61.289",
2078 publisher = "American Physical Society",
2082 title = "Silicon carbide: synthesis and processing",
2083 journal = "Nucl. Instrum. Methods Phys. Res. B",
2088 note = "Radiation Effects in Insulators",
2090 doi = "DOI: 10.1016/0168-583X(96)00065-1",
2091 URL = "http://www.sciencedirect.com/science/article/B6TJN-3VXHNFT-C7/2/4216cb1ec9e422c22de5fed7360fb06e",
2092 author = "W. Wesch",
2096 author = "R. F. Davis and G. Kelner and M. Shur and J. W.
2097 Palmour and J. A. Edmond",
2098 journal = "Proc. IEEE",
2099 title = "Thin film deposition and microelectronic and
2100 optoelectronic device fabrication and characterization
2101 in monocrystalline alpha and beta silicon carbide",
2107 keywords = "HBT;LED;MESFET;MOSFET;Schottky contacts;Schottky
2108 diode;SiC;dry etching;electrical
2109 contacts;etching;impurity incorporation;optoelectronic
2110 device fabrication;solid-state devices;surface
2111 chemistry;Schottky effect;Schottky gate field effect
2112 transistors;Schottky-barrier
2113 diodes;etching;heterojunction bipolar
2114 transistors;insulated gate field effect
2115 transistors;light emitting diodes;semiconductor
2116 materials;semiconductor thin films;silicon compounds;",
2117 doi = "10.1109/5.90132",
2119 notes = "sic growth methods",
2123 author = "H. Morko\c{c} and S. Strite and G. B. Gao and M. E.
2124 Lin and B. Sverdlov and M. Burns",
2126 title = "Large-band-gap Si{C}, {III}-{V} nitride, and {II}-{VI}
2127 ZnSe-based semiconductor device technologies",
2130 journal = "J. Appl. Phys.",
2133 pages = "1363--1398",
2134 keywords = "SEMICONDUCTOR DEVICES; SILICON CARBIDES; GALLIUM
2135 NITRIDES; ZINC SELENIDES; SUBSTRATES; MOS JUNCTIONS;
2136 LASER MATERIALS; MATERIALS; REVIEWS; ENERGY GAP; THIN
2138 URL = "http://link.aip.org/link/?JAP/76/1363/1",
2139 doi = "10.1063/1.358463",
2140 notes = "sic intro, properties",
2144 author = "Noch Unbekannt",
2145 title = "How to find references",
2146 journal = "Journal of Applied References",
2153 title = "Atomistic simulation of thermomechanical properties of
2155 author = "Meijie Tang and Sidney Yip",
2156 journal = "Phys. Rev. B",
2159 pages = "15150--15159",
2162 doi = "10.1103/PhysRevB.52.15150",
2163 notes = "modified tersoff, scale cutoff with volume, promising
2164 tersoff reparametrization",
2165 publisher = "American Physical Society",
2169 title = "Silicon carbide as a new {MEMS} technology",
2170 journal = "Seonsor. Actuator. A",
2176 doi = "DOI: 10.1016/S0924-4247(99)00335-0",
2177 URL = "http://www.sciencedirect.com/science/article/B6THG-406VM55-13/2/75385a587669b215d9ef88029a93fd59",
2178 author = "Pasqualina M. Sarro",
2180 keywords = "Silicon carbide",
2181 keywords = "Micromachining",
2182 keywords = "Mechanical stress",
2186 title = "Status of silicon carbide (Si{C}) as a wide-bandgap
2187 semiconductor for high-temperature applications: {A}
2189 journal = "Solid-State Electron.",
2192 pages = "1409--1422",
2195 doi = "DOI: 10.1016/0038-1101(96)00045-7",
2196 URL = "http://www.sciencedirect.com/science/article/B6TY5-3VSR9J0-1/2/a871c11636e937dc45bfdf48e29f725b",
2197 author = "J. B. Casady and R. W. Johnson",
2198 notes = "sic intro",
2201 @Article{giancarli98,
2202 title = "Design requirements for Si{C}/Si{C} composites
2203 structural material in fusion power reactor blankets",
2204 journal = "Fusion Eng. Des.",
2210 doi = "DOI: 10.1016/S0920-3796(97)00200-7",
2211 URL = "http://www.sciencedirect.com/science/article/B6V3C-3V8RYK8-T/2/16949194114900fd1330f79892d7a7be",
2212 author = "L. Giancarli and J. P. Bonal and A. Caso and G. Le
2213 Marois and N. B. Morley and J. F. Salavy",
2217 title = "Electrical and optical characterization of Si{C}",
2218 journal = "Physica B",
2224 doi = "DOI: 10.1016/0921-4526(93)90249-6",
2225 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8HRX-99/2/eab9398bf2bbf10df3ae42c2ab28a776",
2226 author = "G. Pensl and W. J. Choyke",
2230 title = "Investigation of growth processes of ingots of silicon
2231 carbide single crystals",
2232 journal = "J. Cryst. Growth",
2237 notes = "modified lely process",
2239 doi = "DOI: 10.1016/0022-0248(78)90169-0",
2240 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BY2NR-7S/2/fa6fee78ebd8322491f6366e72d5b6dc",
2241 author = "Yu. M. Tairov and V. F. Tsvetkov",
2245 title = "General principles of growing large-size single
2246 crystals of various silicon carbide polytypes",
2247 journal = "J. Cryst. Growth",
2254 doi = "DOI: 10.1016/0022-0248(81)90184-6",
2255 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46FVMF6-2Y/2/b7c4025f0ef07ceec37fbd596819d529",
2256 author = "Yu.M. Tairov and V. F. Tsvetkov",
2260 title = "Si{C} boule growth by sublimation vapor transport",
2261 journal = "J. Cryst. Growth",
2268 doi = "DOI: 10.1016/0022-0248(91)90152-U",
2269 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46FJ4VX-KF/2/fb802a6d67a8074a672007e972b264e1",
2270 author = "D. L. Barrett and R. G. Seidensticker and W. Gaida and
2271 R. H. Hopkins and W. J. Choyke",
2275 title = "Growth of large Si{C} single crystals",
2276 journal = "J. Cryst. Growth",
2283 doi = "DOI: 10.1016/0022-0248(93)90348-Z",
2284 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46YKSGB-4D/2/bc26617f48735a9ffbf5c61a5e164d9c",
2285 author = "D. L. Barrett and J. P. McHugh and H. M. Hobgood and
2286 R. H. Hopkins and P. G. McMullin and R. C. Clarke and
2291 title = "Control of polytype formation by surface energy
2292 effects during the growth of Si{C} monocrystals by the
2293 sublimation method",
2294 journal = "J. Cryst. Growth",
2301 doi = "DOI: 10.1016/0022-0248(93)90397-F",
2302 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46FX1XJ-1X/2/493b180c29103dba5dba351e0fae5b9d",
2303 author = "R. A. Stein and P. Lanig",
2304 notes = "6h and 4h, sublimation technique",
2308 author = "Shigehiro Nishino and J. Anthony Powell and Herbert A.
2311 title = "Production of large-area single-crystal wafers of
2312 cubic Si{C} for semiconductor devices",
2315 journal = "Appl. Phys. Lett.",
2319 keywords = "silicon carbides; layers; chemical vapor deposition;
2321 URL = "http://link.aip.org/link/?APL/42/460/1",
2322 doi = "10.1063/1.93970",
2323 notes = "cvd of 3c-sic on si, sic buffer layer",
2326 @Article{nagasawa06,
2327 author = "H. Nagasawa and K. Yagi and T. Kawahara and N. Hatta",
2328 title = "Reducing Planar Defects in 3{C}¿Si{C}",
2329 journal = "Chemical Vapor Deposition",
2332 publisher = "WILEY-VCH Verlag",
2334 URL = "http://dx.doi.org/10.1002/cvde.200506466",
2335 doi = "10.1002/cvde.200506466",
2337 keywords = "Defect structures, Epitaxy, Silicon carbide",
2339 notes = "cvd on si",
2343 author = "Shigehiro Nishino and Hajime Suhara and Hideyuki Ono
2344 and Hiroyuki Matsunami",
2346 title = "Epitaxial growth and electric characteristics of cubic
2350 journal = "J. Appl. Phys.",
2353 pages = "4889--4893",
2354 URL = "http://link.aip.org/link/?JAP/61/4889/1",
2355 doi = "10.1063/1.338355",
2356 notes = "cvd of 3c-sic on si, sic buffer layer, first time
2361 author = "J. Anthony Powell and Lawrence G. Matus and Maria A.
2363 title = "Growth and Characterization of Cubic Si{C}
2364 Single-Crystal Films on Si",
2367 journal = "J. Electrochem. Soc.",
2370 pages = "1558--1565",
2371 keywords = "semiconductor materials; silicon compounds; carbon
2372 compounds; crystal morphology; electron mobility",
2373 URL = "http://link.aip.org/link/?JES/134/1558/1",
2374 doi = "10.1149/1.2100708",
2375 notes = "blue light emitting diodes (led)",
2378 @Article{powell87_2,
2379 author = "J. A. Powell and L. G. Matus and M. A. Kuczmarski and
2380 C. M. Chorey and T. T. Cheng and P. Pirouz",
2382 title = "Improved beta-Si{C} heteroepitaxial films using
2383 off-axis Si substrates",
2386 journal = "Appl. Phys. Lett.",
2390 keywords = "VAPOR PHASE EPITAXY; SILICON CARBIDES; VAPOR DEPOSITED
2391 COATINGS; SILICON; EPITAXIAL LAYERS; INTERFACE
2392 STRUCTURE; SURFACE STRUCTURE; FILM GROWTH; STACKING
2393 FAULTS; CRYSTAL DEFECTS; ANTIPHASE BOUNDARIES;
2394 OXIDATION; CHEMICAL VAPOR DEPOSITION; ROUGHNESS",
2395 URL = "http://link.aip.org/link/?APL/51/823/1",
2396 doi = "10.1063/1.98824",
2397 notes = "improved sic on off-axis si substrates, reduced apbs",
2401 title = "Crystal growth of Si{C} by step-controlled epitaxy",
2402 journal = "J. Cryst. Growth",
2409 doi = "DOI: 10.1016/0022-0248(90)90013-B",
2410 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46CC6CX-KN/2/d5184c7bd29063985f7d1dd4112b12c9",
2411 author = "Tetsuzo Ueda and Hironori Nishino and Hiroyuki
2413 notes = "step-controlled epitaxy model",
2417 author = "Tsunenobu Kimoto and Hironori Nishino and Woo Sik Yoo
2418 and Hiroyuki Matsunami",
2419 title = "Growth mechanism of 6{H}-Si{C} in step-controlled
2423 journal = "J. Appl. Phys.",
2427 keywords = "SILICON CARBIDES; EPITAXY; GROWTH RATE; TEMPERATURE
2428 RANGE 10004000 K; TWINNING; ACTIVATION ENERGY; CHEMICAL
2430 URL = "http://link.aip.org/link/?JAP/73/726/1",
2431 doi = "10.1063/1.353329",
2432 notes = "cvd of 6h-sic on 6h-sic, twinned 3c-sic",
2435 @Article{powell90_2,
2436 author = "J. A. Powell and D. J. Larkin and L. G. Matus and W.
2437 J. Choyke and J. L. Bradshaw and L. Henderson and M.
2438 Yoganathan and J. Yang and P. Pirouz",
2440 title = "Growth of high quality 6{H}-Si{C} epitaxial films on
2441 vicinal (0001) 6{H}-Si{C} wafers",
2444 journal = "Appl. Phys. Lett.",
2447 pages = "1442--1444",
2448 keywords = "SILICON CARBIDES; CHEMICAL VAPOR DEPOSITION; SORPTIVE
2449 PROPERTIES; WAFERS; CARRIER DENSITY; CARRIER MOBILITY;
2450 TRANSMISSION ELECTRON MICROSCOPY; CRYSTAL DEFECTS;
2451 DISLOCATIONS; PHOTOLUMINESCENCE; VAPOR PHASE EPITAXY",
2452 URL = "http://link.aip.org/link/?APL/56/1442/1",
2453 doi = "10.1063/1.102492",
2454 notes = "cvd of 6h-sic on 6h-sic",
2458 author = "H. S. Kong and J. T. Glass and R. F. Davis",
2460 title = "Chemical vapor deposition and characterization of
2461 6{H}-Si{C} thin films on off-axis 6{H}-Si{C}
2465 journal = "J. Appl. Phys.",
2468 pages = "2672--2679",
2469 keywords = "THIN FILMS; CHEMICAL VAPOR DEPOSITION; VAPOR DEPOSITED
2470 COATINGS; SILICON CARBIDES; TRANSMISSION ELECTRON
2471 MICROSCOPY; MONOCRYSTALS; MORPHOLOGY; CRYSTAL
2472 STRUCTURE; CRYSTAL DEFECTS; CARRIER DENSITY; VAPOR
2473 PHASE EPITAXY; CRYSTAL ORIENTATION",
2474 URL = "http://link.aip.org/link/?JAP/64/2672/1",
2475 doi = "10.1063/1.341608",
2479 author = "J. A. Powell and D. J. Larkin and L. G. Matus and W.
2480 J. Choyke and J. L. Bradshaw and L. Henderson and M.
2481 Yoganathan and J. Yang and P. Pirouz",
2483 title = "Growth of improved quality 3{C}-Si{C} films on
2484 6{H}-Si{C} substrates",
2487 journal = "Appl. Phys. Lett.",
2490 pages = "1353--1355",
2491 keywords = "SILICON CARBIDES; CHEMICAL VAPOR DEPOSITION; SORPTIVE
2492 PROPERTIES; PHOTOLUMINESCENCE; TRANSMISSION ELECTRON
2493 MICROSCOPY; DEFECT STRUCTURE; STACKING FAULTS; VAPOR
2495 URL = "http://link.aip.org/link/?APL/56/1353/1",
2496 doi = "10.1063/1.102512",
2497 notes = "cvd of 3c-sic on 6h-sic",
2501 author = "H. S. Kong and B. L. Jiang and J. T. Glass and G. A.
2502 Rozgonyi and K. L. More",
2504 title = "An examination of double positioning boundaries and
2505 interface misfit in beta-Si{C} films on alpha-Si{C}
2509 journal = "J. Appl. Phys.",
2512 pages = "2645--2650",
2513 keywords = "SILICON CARBIDES; INTERFACES; SILICON; STACKING
2514 FAULTS; TRANSMISSION ELECTRON MICROSCOPY; EPITAXY; THIN
2515 FILMS; OPTICAL MICROSCOPY; TOPOGRAPHY; NUCLEATION;
2516 MORPHOLOGY; ROTATION; SURFACE STRUCTURE; INTERFACE
2517 STRUCTURE; XRAY TOPOGRAPHY; EPITAXIAL LAYERS",
2518 URL = "http://link.aip.org/link/?JAP/63/2645/1",
2519 doi = "10.1063/1.341004",
2523 author = "J. A. Powell and J. B. Petit and J. H. Edgar and I. G.
2524 Jenkins and L. G. Matus and J. W. Yang and P. Pirouz
2525 and W. J. Choyke and L. Clemen and M. Yoganathan",
2527 title = "Controlled growth of 3{C}-Si{C} and 6{H}-Si{C} films
2528 on low-tilt-angle vicinal (0001) 6{H}-Si{C} wafers",
2531 journal = "Appl. Phys. Lett.",
2535 keywords = "SILICON CARBIDES; SURFACE TREATMENTS; SORPTIVE
2536 PROPERTIES; CHEMICAL VAPOR DEPOSITION; MATHEMATICAL
2537 MODELS; CRYSTAL STRUCTURE; VERY HIGH TEMPERATURE",
2538 URL = "http://link.aip.org/link/?APL/59/333/1",
2539 doi = "10.1063/1.105587",
2543 author = "C. Yuan and A. J. Steckl and J. Chaudhuri and R.
2544 Thokala and M. J. Loboda",
2546 title = "Reduced temperature growth of crystalline 3{C}-Si{C}
2547 films on 6{H}-Si{C} by chemical vapor deposition from
2551 journal = "J. Appl. Phys.",
2554 pages = "1271--1273",
2555 keywords = "SILICON CARBIDES; THIN FILMS; CVD; EPITAXY; ABSORPTION
2556 EDGE; CRYSTAL STRUCTURE; STRAINS; DISLOCATIONS; XRD;
2558 URL = "http://link.aip.org/link/?JAP/78/1271/1",
2559 doi = "10.1063/1.360368",
2560 notes = "3c-sic on 6h-sic, cvd, reduced temperature",
2564 title = "{MBE} growth of 3{C}·Si{C}/6·Si{C} and the electric
2565 properties of its p-n junction",
2566 journal = "J. Cryst. Growth",
2573 doi = "DOI: 10.1016/0022-0248(87)90449-0",
2574 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46X9W77-3F/2/864b2d86faa794252e1d1f16c99a9cf1",
2575 author = "Shigeo Kaneda and Yoshiki Sakamoto and Tadashi Mihara
2577 notes = "first time ssmbe of 3c-sic on 6h-sic",
2581 title = "Epitaxial growth of Si{C} thin films on Si-stabilized
2582 [alpha]-Si{C}(0001) at low temperatures by solid-source
2583 molecular beam epitaxy",
2584 journal = "J. Cryst. Growth",
2590 doi = "DOI: 10.1016/0022-0248(95)00170-0",
2591 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3Y5MMXM-1N/2/65549019b878bf02d5ec645b7eea9e98",
2592 author = "A. Fissel and U. Kaiser and E. Ducke and B.
2593 Schr{\"{o}}ter and W. Richter",
2594 notes = "solid source mbe of 3c-sic on si and 6h-sic",
2597 @Article{fissel95_apl,
2598 author = "A. Fissel and B. Schr{\"{o}}ter and W. Richter",
2600 title = "Low-temperature growth of Si{C} thin films on Si and
2601 6{H}--Si{C} by solid-source molecular beam epitaxy",
2604 journal = "Appl. Phys. Lett.",
2607 pages = "3182--3184",
2608 keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
2610 URL = "http://link.aip.org/link/?APL/66/3182/1",
2611 doi = "10.1063/1.113716",
2612 notes = "mbe 3c-sic on si and 6h-sic",
2616 author = "Andreas Fissel and Ute Kaiser and Kay Pfennighaus and
2617 Bernd Schr{\"{o}}ter and Wolfgang Richter",
2619 title = "Growth of 6{H}--Si{C} on 6{H}--Si{C}(0001) by
2620 migration enhanced epitaxy controlled to an atomic
2621 level using surface superstructures",
2624 journal = "Appl. Phys. Lett.",
2627 pages = "1204--1206",
2628 keywords = "MICROSTRUCTURE; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
2629 NUCLEATION; SILICON CARBIDES; SURFACE RECONSTRUCTION;
2631 URL = "http://link.aip.org/link/?APL/68/1204/1",
2632 doi = "10.1063/1.115969",
2633 notes = "ss mbe sic, superstructure, reconstruction",
2637 title = "Ab initio Simulations of Homoepitaxial Si{C} Growth",
2638 author = "M. C. Righi and C. A. Pignedoli and R. Di Felice and
2639 C. M. Bertoni and A. Catellani",
2640 journal = "Phys. Rev. Lett.",
2647 doi = "10.1103/PhysRevLett.91.136101",
2648 publisher = "American Physical Society",
2649 notes = "dft calculations mbe sic growth",
2653 author = "J. A. Borders and S. T. Picraux and W. Beezhold",
2655 title = "{FORMATION} {OF} Si{C} {IN} {SILICON} {BY} {ION}
2659 journal = "Appl. Phys. Lett.",
2663 URL = "http://link.aip.org/link/?APL/18/509/1",
2664 doi = "10.1063/1.1653516",
2665 notes = "first time sic by ibs, follow cites for precipitation
2670 author = "F. L. Edelman and O. N. Kuznetsov and L. V. Lezheiko
2671 and E. V. Lubopytova",
2672 title = "Formation of Si{C} and Si[sub 3]{N}[sub 4] in silicon
2673 by ion implantation",
2674 publisher = "Taylor \& Francis",
2676 journal = "Radiat. Eff.",
2680 URL = "http://www.informaworld.com/10.1080/00337577608233477",
2681 notes = "3c-sic for different temperatures, amorphous, poly,
2682 single crystalline",
2685 @Article{akimchenko80,
2686 author = "I. P. Akimchenko and K. V. Kisseleva and V. V.
2687 Krasnopevtsev and A. G. Touryanski and V. S. Vavilov",
2688 title = "Structure and optical properties of silicon implanted
2689 by high doses of 70 and 310 ke{V} carbon ions",
2690 publisher = "Taylor \& Francis",
2692 journal = "Radiat. Eff.",
2696 URL = "http://www.informaworld.com/10.1080/00337578008209220",
2697 notes = "3c-sic nucleation by thermal spikes",
2701 title = "Structure and annealing properties of silicon carbide
2702 thin layers formed by implantation of carbon ions in
2704 journal = "Thin Solid Films",
2711 doi = "DOI: 10.1016/0040-6090(81)90516-2",
2712 URL = "http://www.sciencedirect.com/science/article/B6TW0-46T3DRB-NS/2/831f8ddd769a5d64cd493b89a9b0cf80",
2713 author = "Tadamasa Kimura and Shigeru Kagiyama and Shigemi
2718 title = "Characteristics of the synthesis of [beta]-Si{C} by
2719 the implantation of carbon ions into silicon",
2720 journal = "Thin Solid Films",
2727 doi = "DOI: 10.1016/0040-6090(82)90295-4",
2728 URL = "http://www.sciencedirect.com/science/article/B6TW0-46PB24G-11C/2/6bc025812640087a987ae09c38faaecd",
2729 author = "Tadamasa Kimura and Shigeru Kagiyama and Shigemi
2734 author = "K. J. Reeson and P. L. F. Hemment and R. F. Peart and
2735 C. D. Meekison and C. Marsh and G. R. Booker and R. J.
2736 Chater and J. A. Iulner and J. Davis",
2737 title = "Formation mechanisms and structures of insulating
2738 compounds formed in silicon by ion beam synthesis",
2739 publisher = "Taylor \& Francis",
2741 journal = "Radiat. Eff.",
2745 URL = "http://www.informaworld.com/10.1080/00337578608209614",
2746 notes = "ibs, comparison with sio and sin, higher temp or time,
2747 no c redistribution",
2751 author = "K. J. Reeson and P. L. F. Hemment and J. Stoemenos and
2752 J. Davis and G. E. Celler",
2754 title = "Formation of buried layers of beta-Si{C} using ion
2755 beam synthesis and incoherent lamp annealing",
2758 journal = "Appl. Phys. Lett.",
2761 pages = "2242--2244",
2762 keywords = "SILICON CARBIDES; FILM GROWTH; SOLIDPHASE EPITAXY; ION
2763 IMPLANTATION; CARBON IONS; DOPING PROFILES; SYNTHESIS",
2764 URL = "http://link.aip.org/link/?APL/51/2242/1",
2765 doi = "10.1063/1.98953",
2766 notes = "nice tem images, sic by ibs",
2770 author = "P. Martin and B. Daudin and M. Dupuy and A. Ermolieff
2771 and M. Olivier and A. M. Papon and G. Rolland",
2773 title = "High-temperature ion beam synthesis of cubic Si{C}",
2776 journal = "J. Appl. Phys.",
2779 pages = "2908--2912",
2780 keywords = "SILICON CARBIDES; SYNTHESIS; CUBIC LATTICES; ION
2781 IMPLANTATION; SILICON; SUBSTRATES; CARBON IONS;
2782 TRANSMISSION ELECTRON MICROSCOPY; XRAY DIFFRACTION;
2783 INFRARED SPECTRA; ABSORPTION SPECTROSCOPY; AUGER
2784 ELECTRON SPECTROSCOPY; RBS; CHANNELING; NUCLEAR
2785 REACTIONS; MONOCRYSTALS",
2786 URL = "http://link.aip.org/link/?JAP/67/2908/1",
2787 doi = "10.1063/1.346092",
2788 notes = "triple energy implantation to overcome high annealing
2793 author = "R. I. Scace and G. A. Slack",
2795 title = "Solubility of Carbon in Silicon and Germanium",
2798 journal = "J. Chem. Phys.",
2801 pages = "1551--1555",
2802 URL = "http://link.aip.org/link/?JCP/30/1551/1",
2803 doi = "10.1063/1.1730236",
2804 notes = "solubility of c in c-si, si-c phase diagram",
2808 author = "W. Hofker and H. Werner and D. Oosthoek and N.
2810 affiliation = "N. V. Philips' Gloeilampenfabrieken Philips Research
2811 Laboratories Eindhoven Netherlands Eindhoven
2813 title = "Boron implantations in silicon: {A} comparison of
2814 charge carrier and boron concentration profiles",
2815 journal = "Appl. Phys. A",
2816 publisher = "Springer Berlin / Heidelberg",
2818 keyword = "Physics and Astronomy",
2822 URL = "http://dx.doi.org/10.1007/BF00884267",
2823 note = "10.1007/BF00884267",
2825 notes = "first time ted (only for boron?)",
2829 author = "A. E. Michel and W. Rausch and P. A. Ronsheim and R.
2832 title = "Rapid annealing and the anomalous diffusion of ion
2833 implanted boron into silicon",
2836 journal = "Appl. Phys. Lett.",
2840 keywords = "SILICON; ION IMPLANTATION; ANNEALING; DIFFUSION;
2841 BORON; ATOM TRANSPORT; CHARGEDPARTICLE TRANSPORT; VERY
2842 HIGH TEMPERATURE; PN JUNCTIONS; SURFACE CONDUCTIVITY",
2843 URL = "http://link.aip.org/link/?APL/50/416/1",
2844 doi = "10.1063/1.98160",
2845 notes = "ted of boron in si",
2849 author = "N. E. B. Cowern and K. T. F. Janssen and H. F. F.
2852 title = "Transient diffusion of ion-implanted {B} in Si: Dose,
2853 time, and matrix dependence of atomic and electrical
2857 journal = "J. Appl. Phys.",
2860 pages = "6191--6198",
2861 keywords = "BORON IONS; ION IMPLANTATION; SILICON; DIFFUSION; TIME
2862 DEPENDENCE; ANNEALING; VERY HIGH TEMPERATURE; SIMS;
2863 CRYSTALS; AMORPHIZATION",
2864 URL = "http://link.aip.org/link/?JAP/68/6191/1",
2865 doi = "10.1063/1.346910",
2866 notes = "ted of boron in si",
2870 author = "N. E. B. Cowern and A. Cacciato and J. S. Custer and
2871 F. W. Saris and W. Vandervorst",
2873 title = "Role of {C} and {B} clusters in transient diffusion of
2877 journal = "Appl. Phys. Lett.",
2880 pages = "1150--1152",
2881 keywords = "ATOMIC CLUSTERS; BORON ADDITIONS; CRYSTAL DOPING;
2882 DIFFUSION; DOPED MATERIALS; IMPURITIES; INTERSTITIALS;
2884 URL = "http://link.aip.org/link/?APL/68/1150/1",
2885 doi = "10.1063/1.115706",
2886 notes = "suppression of transient enhanced diffusion (ted)",
2890 title = "Implantation and transient boron diffusion: the role
2891 of the silicon self-interstitial",
2892 journal = "Nucl. Instrum. Methods Phys. Res. B",
2897 note = "Selected Papers of the Tenth International Conference
2898 on Ion Implantation Technology (IIT '94)",
2900 doi = "DOI: 10.1016/0168-583X(94)00481-1",
2901 URL = "http://www.sciencedirect.com/science/article/B6TJN-40WKY1P-29/2/602c6e5b809221323d2d2968edd0a71c",
2902 author = "P. A. Stolk and H. -J. Gossmann and D. J. Eaglesham
2907 author = "P. A. Stolk and H.-J. Gossmann and D. J. Eaglesham and
2908 D. C. Jacobson and C. S. Rafferty and G. H. Gilmer and
2909 M. Jara\'{\i}z and J. M. Poate and H. S. Luftman and T.
2912 title = "Physical mechanisms of transient enhanced dopant
2913 diffusion in ion-implanted silicon",
2916 journal = "J. Appl. Phys.",
2919 pages = "6031--6050",
2920 URL = "http://link.aip.org/link/?JAP/81/6031/1",
2921 doi = "10.1063/1.364452",
2922 notes = "ted, transient enhanced diffusion, c silicon trap",
2926 author = "A. R. Powell and F. K. LeGoues and S. S. Iyer",
2928 title = "Formation of beta-Si{C} nanocrystals by the relaxation
2929 of Si[sub 1 - y]{C}[sub y] random alloy layers",
2932 journal = "Appl. Phys. Lett.",
2936 keywords = "SILICON CARBIDES; NANOSTRUCTURES; DISPERSIONS;
2937 EPITAXIAL LAYERS; STRESS RELAXATION; ANNEALING;
2938 TEMPERATURE EFFECTS; PRECIPITATION; DISLOCATIONS;
2940 URL = "http://link.aip.org/link/?APL/64/324/1",
2941 doi = "10.1063/1.111195",
2942 notes = "beta sic nano crystals in si, mbe, annealing",
2946 author = "Richard A. Soref",
2948 title = "Optical band gap of the ternary semiconductor Si[sub 1
2949 - x - y]Ge[sub x]{C}[sub y]",
2952 journal = "J. Appl. Phys.",
2955 pages = "2470--2472",
2956 keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; ENERGY GAP;
2957 OPTICAL PROPERTIES; DIAMONDS; SEMICONDUCTOR ALLOYS;
2959 URL = "http://link.aip.org/link/?JAP/70/2470/1",
2960 doi = "10.1063/1.349403",
2961 notes = "band gap of strained si by c",
2965 author = "E Kasper",
2966 title = "Superlattices of group {IV} elements, a new
2967 possibility to produce direct band gap material",
2968 journal = "Phys. Scr.",
2971 URL = "http://stacks.iop.org/1402-4896/T35/232",
2973 notes = "superlattices, convert indirect band gap into a
2978 author = "K. Eberl and S. S. Iyer and S. Zollner and J. C. Tsang
2981 title = "Growth and strain compensation effects in the ternary
2982 Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloy system",
2985 journal = "Appl. Phys. Lett.",
2988 pages = "3033--3035",
2989 keywords = "SILICON ALLOYS; GERMANIUM ALLOYS; CARBON ALLOYS;
2990 TERNARY ALLOYS; SEMICONDUCTOR ALLOYS; MOLECULAR BEAM
2991 EPITAXY; INTERNAL STRAINS; TEMPERATURE EFFECTS; CRYSTAL
2992 STRUCTURE; LATTICE PARAMETERS; XRAY DIFFRACTION; PHASE
2994 URL = "http://link.aip.org/link/?APL/60/3033/1",
2995 doi = "10.1063/1.106774",
2999 author = "A. R. Powell and K. Eberl and F. E. LeGoues and B. A.
3002 title = "Stability of strained Si[sub 1 - y]{C}[sub y] random
3006 journal = "J. Vac. Sci. Technol. B",
3009 pages = "1064--1068",
3010 location = "Ottawa (Canada)",
3011 keywords = "SILICON ALLOYS; CARBON ALLOYS; STRAINS; THICKNESS;
3012 METASTABLE PHASES; TWINNING; DISLOCATIONS; MOLECULAR
3013 BEAM EPITAXY; EPITAXIAL LAYERS; CRITICAL PHENOMENA;
3014 TEMPERATURE RANGE 400--1000 K; BINARY ALLOYS",
3015 URL = "http://link.aip.org/link/?JVB/11/1064/1",
3016 doi = "10.1116/1.587008",
3017 notes = "substitutional c in si by mbe",
3020 @Article{powell93_2,
3021 title = "Si[sub 1-x-y]Ge[sub x]{C}[sub y] growth and properties
3022 of the ternary system",
3023 journal = "J. Cryst. Growth",
3030 doi = "DOI: 10.1016/0022-0248(93)90653-E",
3031 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46J3RF2-8H/2/27fc231f28e4dc0a3b4770e5cf03257e",
3032 author = "A. R. Powell and K. Eberl and B. A. Ek and S. S.
3037 author = "H. J. Osten",
3038 title = "Modification of Growth Modes in Lattice-Mismatched
3039 Epitaxial Systems: Si/Ge",
3040 journal = "phys. status solidi (a)",
3043 publisher = "WILEY-VCH Verlag",
3045 URL = "http://dx.doi.org/10.1002/pssa.2211450203",
3046 doi = "10.1002/pssa.2211450203",
3051 @Article{dietrich94,
3052 title = "Lattice distortion in a strain-compensated
3053 $Si_{1-x-y}$$Ge_{x}$${C}_{y}$ layer on silicon",
3054 author = "B. Dietrich and H. J. Osten and H. R{\"u}cker and M.
3055 Methfessel and P. Zaumseil",
3056 journal = "Phys. Rev. B",
3059 pages = "17185--17190",
3063 doi = "10.1103/PhysRevB.49.17185",
3064 publisher = "American Physical Society",
3068 author = "H. J. Osten and E. Bugiel and P. Zaumseil",
3070 title = "Growth of an inverse tetragonal distorted SiGe layer
3071 on Si(001) by adding small amounts of carbon",
3074 journal = "Appl. Phys. Lett.",
3077 pages = "3440--3442",
3078 keywords = "SILICON ALLOYS; GERMANIUM ALLOYS; FILM GROWTH; CARBON
3079 ALLOYS; TERNARY ALLOYS; MOLECULAR BEAM EPITAXY; TEM;
3080 XRD; LATTICE PARAMETERS; EPITAXIAL LAYERS; TETRAGONAL
3082 URL = "http://link.aip.org/link/?APL/64/3440/1",
3083 doi = "10.1063/1.111235",
3084 notes = "inversely strained / distorted heterostructure",
3088 author = "S. S. Iyer and K. Eberl and M. S. Goorsky and F. K.
3089 LeGoues and J. C. Tsang and F. Cardone",
3091 title = "Synthesis of Si[sub 1 - y]{C}[sub y] alloys by
3092 molecular beam epitaxy",
3095 journal = "Appl. Phys. Lett.",
3099 keywords = "SILICON ALLOYS; CARBON ALLOYS; BINARY ALLOYS;
3100 SEMICONDUCTOR ALLOYS; SUPERLATTICES; MOLECULAR BEAM
3101 EPITAXY; CHEMICAL COMPOSITION; TEMPERATURE EFFECTS;
3102 FILM GROWTH; MICROSTRUCTURE",
3103 URL = "http://link.aip.org/link/?APL/60/356/1",
3104 doi = "10.1063/1.106655",
3108 author = "H. J. Osten and J. Griesche and S. Scalese",
3110 title = "Substitutional carbon incorporation in epitaxial
3111 Si[sub 1 - y]{C}[sub y] alloys on Si(001) grown by
3112 molecular beam epitaxy",
3115 journal = "Appl. Phys. Lett.",
3119 keywords = "molecular beam epitaxial growth; semiconductor growth;
3120 wide band gap semiconductors; interstitials; silicon
3122 URL = "http://link.aip.org/link/?APL/74/836/1",
3123 doi = "10.1063/1.123384",
3124 notes = "substitutional c in si by mbe",
3128 author = "M. Born and R. Oppenheimer",
3129 title = "Zur Quantentheorie der Molekeln",
3130 journal = "Ann. Phys. (Leipzig)",
3133 publisher = "WILEY-VCH Verlag",
3135 URL = "http://dx.doi.org/10.1002/andp.19273892002",
3136 doi = "10.1002/andp.19273892002",
3141 @Article{hohenberg64,
3142 title = "Inhomogeneous Electron Gas",
3143 author = "P. Hohenberg and W. Kohn",
3144 journal = "Phys. Rev.",
3147 pages = "B864--B871",
3151 doi = "10.1103/PhysRev.136.B864",
3152 publisher = "American Physical Society",
3153 notes = "density functional theory, dft",
3157 title = "The calculation of atomic fields",
3158 author = "L. H. Thomas",
3159 journal = "Proc. Cambridge Philos. Soc.",
3163 doi = "10.1017/S0305004100011683",
3168 author = "E. Fermi",
3169 journal = "Atti Accad. Naz. Lincei, Cl. Sci. Fis. Mat. Nat.
3177 title = "The Wave Mechanics of an Atom with a Non-Coulomb
3178 Central Field. Part {I}. Theory and Methods",
3179 author = "D. R. Hartree",
3180 journal = "Proc. Cambridge Philos. Soc.",
3184 doi = "10.1017/S0305004100011919",
3188 title = "The Theory of Complex Spectra",
3189 author = "J. C. Slater",
3190 journal = "Phys. Rev.",
3193 pages = "1293--1322",
3197 doi = "10.1103/PhysRev.34.1293",
3198 publisher = "American Physical Society",
3202 title = "Self-Consistent Equations Including Exchange and
3203 Correlation Effects",
3204 author = "W. Kohn and L. J. Sham",
3205 journal = "Phys. Rev.",
3208 pages = "A1133--A1138",
3212 doi = "10.1103/PhysRev.140.A1133",
3213 publisher = "American Physical Society",
3214 notes = "dft, exchange and correlation",
3218 title = "Density Functional and Density Matrix Method Scaling
3219 Linearly with the Number of Atoms",
3221 journal = "Phys. Rev. Lett.",
3224 pages = "3168--3171",
3228 doi = "10.1103/PhysRevLett.76.3168",
3229 publisher = "American Physical Society",
3233 title = "Edge Electron Gas",
3234 author = "Walter Kohn and Ann E. Mattsson",
3235 journal = "Phys. Rev. Lett.",
3238 pages = "3487--3490",
3242 doi = "10.1103/PhysRevLett.81.3487",
3243 publisher = "American Physical Society",
3247 title = "Nobel Lecture: Electronic structure of matter---wave
3248 functions and density functionals",
3250 journal = "Rev. Mod. Phys.",
3253 pages = "1253--1266",
3257 doi = "10.1103/RevModPhys.71.1253",
3258 publisher = "American Physical Society",
3262 title = "Iterative minimization techniques for ab initio
3263 total-energy calculations: molecular dynamics and
3264 conjugate gradients",
3265 author = "M. C. Payne and M. P. Teter and D. C. Allan and T. A.
3266 Arias and J. D. Joannopoulos",
3267 journal = "Rev. Mod. Phys.",
3270 pages = "1045--1097",
3274 doi = "10.1103/RevModPhys.64.1045",
3275 publisher = "American Physical Society",
3279 title = "Electron densities in search of Hamiltonians",
3280 author = "Mel Levy",
3281 journal = "Phys. Rev. A",
3284 pages = "1200--1208",
3288 doi = "10.1103/PhysRevA.26.1200",
3289 publisher = "American Physical Society",
3293 title = "Strain-stabilized highly concentrated pseudomorphic
3294 $Si1-x$$Cx$ layers in Si",
3295 author = "H. R{\"u}cker and M. Methfessel and E. Bugiel and H.
3297 journal = "Phys. Rev. Lett.",
3300 pages = "3578--3581",
3304 doi = "10.1103/PhysRevLett.72.3578",
3305 publisher = "American Physical Society",
3306 notes = "high c concentration in si, heterostructure, strained
3311 title = "Phosphorous Doping of Strain-Induced
3312 Si$_{1-y}${C}$_{y}$ Epitaxial Films Grown\\
3313 by Low-Temperature Chemical Vapor Deposition",
3314 author = "Shuhei Yagi and Katsuya Abe and Takashi Okabayashi and
3315 Yuichi Yoneyama and Akira Yamada and Makoto Konagai",
3316 journal = "Japanese J. Appl. Phys.",
3318 number = "Part 1, No. 4B",
3319 pages = "2472--2475",
3322 URL = "http://jjap.jsap.jp/link?JJAP/41/2472/",
3323 doi = "10.1143/JJAP.41.2472",
3324 publisher = "The Japan Society of Applied Physics",
3325 notes = "experimental charge carrier mobility in strained si",
3329 title = "Electron Transport Model for Strained Silicon-Carbon
3331 author = "Shu-Tong Chang and Chung-Yi Lin",
3332 journal = "Japanese J. Appl. Phys.",
3335 pages = "2257--2262",
3338 URL = "http://jjap.ipap.jp/link?JJAP/44/2257/",
3339 doi = "10.1143/JJAP.44.2257",
3340 publisher = "The Japan Society of Applied Physics",
3341 notes = "enhance of electron mobility in strained si",
3344 @Article{kissinger94,
3345 author = "W. Kissinger and M. Weidner and H. J. Osten and M.
3348 title = "Optical transitions in strained Si[sub 1 - y]{C}[sub
3349 y] layers on Si(001)",
3352 journal = "Appl. Phys. Lett.",
3355 pages = "3356--3358",
3356 keywords = "SILICON CARBIDES; INTERNAL STRAINS; EPITAXIAL LAYERS;
3357 CHEMICAL COMPOSITION; ELLIPSOMETRY; REFLECTION
3358 SPECTROSCOPY; ELECTROOPTICAL EFFECTS; BAND STRUCTURE;
3359 ENERGY LEVELS; ENERGYLEVEL TRANSITIONS",
3360 URL = "http://link.aip.org/link/?APL/65/3356/1",
3361 doi = "10.1063/1.112390",
3362 notes = "strained si influence on optical properties",
3366 author = "H. J. Osten and Myeongcheol Kim and K. Pressel and P.
3369 title = "Substitutional versus interstitial carbon
3370 incorporation during pseudomorphic growth of Si[sub 1 -
3371 y]{C}[sub y] on Si(001)",
3374 journal = "J. Appl. Phys.",
3377 pages = "6711--6715",
3378 keywords = "SILICON CARBIDES; CRYSTAL DEFECTS; FILM GROWTH;
3379 MOLECULAR BEAM EPITAXY; INTERSTITIALS; SUBSTITUTION;
3381 URL = "http://link.aip.org/link/?JAP/80/6711/1",
3382 doi = "10.1063/1.363797",
3383 notes = "mbe substitutional vs interstitial c incorporation",
3387 author = "H. J. Osten and P. Gaworzewski",
3389 title = "Charge transport in strained Si[sub 1 - y]{C}[sub y]
3390 and Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloys on
3394 journal = "J. Appl. Phys.",
3397 pages = "4977--4981",
3398 keywords = "silicon compounds; Ge-Si alloys; wide band gap
3399 semiconductors; semiconductor epitaxial layers; carrier
3400 density; Hall mobility; interstitials; defect states",
3401 URL = "http://link.aip.org/link/?JAP/82/4977/1",
3402 doi = "10.1063/1.366364",
3403 notes = "charge transport in strained si",
3407 title = "Carbon-mediated aggregation of self-interstitials in
3408 silicon: {A} large-scale molecular dynamics study",
3409 author = "Sumeet S. Kapur and Manish Prasad and Talid Sinno",
3410 journal = "Phys. Rev. B",
3417 doi = "10.1103/PhysRevB.69.155214",
3418 publisher = "American Physical Society",
3419 notes = "simulation using promising tersoff reparametrization",
3423 title = "Event-Based Relaxation of Continuous Disordered
3425 author = "G. T. Barkema and Normand Mousseau",
3426 journal = "Phys. Rev. Lett.",
3429 pages = "4358--4361",
3433 doi = "10.1103/PhysRevLett.77.4358",
3434 publisher = "American Physical Society",
3435 notes = "activation relaxation technique, art, speed up slow
3440 author = "E. Canc\`{e}s and F. Legoll and M.-C. Marinica and K.
3441 Minoukadeh and F. Willaime",
3443 title = "Some improvements of the activation-relaxation
3444 technique method for finding transition pathways on
3445 potential energy surfaces",
3448 journal = "J. Chem. Phys.",
3454 keywords = "eigenvalues and eigenfunctions; iron; potential energy
3455 surfaces; vacancies (crystal)",
3456 URL = "http://link.aip.org/link/?JCP/130/114711/1",
3457 doi = "10.1063/1.3088532",
3458 notes = "improvements to art, refs for methods to find
3459 transition pathways",
3462 @Article{parrinello81,
3463 author = "M. Parrinello and A. Rahman",
3465 title = "Polymorphic transitions in single crystals: {A} new
3466 molecular dynamics method",
3469 journal = "J. Appl. Phys.",
3472 pages = "7182--7190",
3473 keywords = "MONOCRYSTALS; PHASE TRANSFORMATIONS; STRUCTURAL
3474 MODELS; DYNAMICS; THEORETICAL DATA; STRESSES;
3475 CONFIGURATION; LAGRANGE EQUATIONS; SIZE; NICKEL;
3476 COMPRESSION; TENSILE PROPERTIES; COMPARATIVE
3477 EVALUATIONS; STRAINS; CUBIC LATTICES; HCP LATTICES;
3479 URL = "http://link.aip.org/link/?JAP/52/7182/1",
3480 doi = "10.1063/1.328693",
3483 @Article{stillinger85,
3484 title = "Computer simulation of local order in condensed phases
3486 author = "Frank H. Stillinger and Thomas A. Weber",
3487 journal = "Phys. Rev. B",
3490 pages = "5262--5271",
3494 doi = "10.1103/PhysRevB.31.5262",
3495 publisher = "American Physical Society",
3499 title = "Empirical potential for hydrocarbons for use in
3500 simulating the chemical vapor deposition of diamond
3502 author = "Donald W. Brenner",
3503 journal = "Phys. Rev. B",
3506 pages = "9458--9471",
3510 doi = "10.1103/PhysRevB.42.9458",
3511 publisher = "American Physical Society",
3512 notes = "brenner hydro carbons",
3516 title = "Modeling of Covalent Bonding in Solids by Inversion of
3517 Cohesive Energy Curves",
3518 author = "Martin Z. Bazant and Efthimios Kaxiras",
3519 journal = "Phys. Rev. Lett.",
3522 pages = "4370--4373",
3526 doi = "10.1103/PhysRevLett.77.4370",
3527 publisher = "American Physical Society",
3528 notes = "first si edip",
3532 title = "Environment-dependent interatomic potential for bulk
3534 author = "Martin Z. Bazant and Efthimios Kaxiras and J. F.
3536 journal = "Phys. Rev. B",
3539 pages = "8542--8552",
3543 doi = "10.1103/PhysRevB.56.8542",
3544 publisher = "American Physical Society",
3545 notes = "second si edip",
3549 title = "Interatomic potential for silicon defects and
3551 author = "Jo\tilde{a}o F. Justo and Martin Z. Bazant and
3552 Efthimios Kaxiras and V. V. Bulatov and Sidney Yip",
3553 journal = "Phys. Rev. B",
3556 pages = "2539--2550",
3560 doi = "10.1103/PhysRevB.58.2539",
3561 publisher = "American Physical Society",
3562 notes = "latest si edip, good dislocation explanation",
3566 journal = "{PARCAS} molecular dynamics code",
3567 author = "K. Nordlund",
3572 title = "Hyperdynamics: Accelerated Molecular Dynamics of
3574 author = "Arthur F. Voter",
3575 journal = "Phys. Rev. Lett.",
3578 pages = "3908--3911",
3582 doi = "10.1103/PhysRevLett.78.3908",
3583 publisher = "American Physical Society",
3584 notes = "hyperdynamics, accelerated md",
3588 author = "Arthur F. Voter",
3590 title = "A method for accelerating the molecular dynamics
3591 simulation of infrequent events",
3594 journal = "J. Chem. Phys.",
3597 pages = "4665--4677",
3598 keywords = "COMPUTERIZED SIMULATION; NICKEL; DIFFUSION; ATOM
3599 TRANSPORT; MOLECULAR ORBITAL METHOD; POTENTIAL ENERGY;
3600 SURFACE POTENTIAL; MOLECULAR DYNAMICS METHOD; potential
3601 energy functions; surface diffusion; reaction kinetics
3602 theory; potential energy surfaces",
3603 URL = "http://link.aip.org/link/?JCP/106/4665/1",
3604 doi = "10.1063/1.473503",
3605 notes = "improved hyperdynamics md",
3608 @Article{sorensen2000,
3609 author = "Mads R. S{\o }rensen and Arthur F. Voter",
3611 title = "Temperature-accelerated dynamics for simulation of
3615 journal = "J. Chem. Phys.",
3618 pages = "9599--9606",
3619 keywords = "SOLID STATE PHYSICS; SIMULATION; DIFFUSION; SURFACES;
3620 MOLECULAR DYNAMICS METHOD; surface diffusion",
3621 URL = "http://link.aip.org/link/?JCP/112/9599/1",
3622 doi = "10.1063/1.481576",
3623 notes = "temperature accelerated dynamics, tad",
3627 title = "Parallel replica method for dynamics of infrequent
3629 author = "Arthur F. Voter",
3630 journal = "Phys. Rev. B",
3633 pages = "R13985--R13988",
3637 doi = "10.1103/PhysRevB.57.R13985",
3638 publisher = "American Physical Society",
3639 notes = "parallel replica method, accelerated md",
3643 author = "Xiongwu Wu and Shaomeng Wang",
3645 title = "Enhancing systematic motion in molecular dynamics
3649 journal = "J. Chem. Phys.",
3652 pages = "9401--9410",
3653 keywords = "molecular dynamics method; argon; Lennard-Jones
3654 potential; crystallisation; liquid theory",
3655 URL = "http://link.aip.org/link/?JCP/110/9401/1",
3656 doi = "10.1063/1.478948",
3657 notes = "self guided md, sgmd, accelerated md, enhancing
3661 @Article{choudhary05,
3662 author = "Devashish Choudhary and Paulette Clancy",
3664 title = "Application of accelerated molecular dynamics schemes
3665 to the production of amorphous silicon",
3668 journal = "J. Chem. Phys.",
3674 keywords = "molecular dynamics method; silicon; glass structure;
3675 amorphous semiconductors",
3676 URL = "http://link.aip.org/link/?JCP/122/154509/1",
3677 doi = "10.1063/1.1878733",
3678 notes = "explanation of sgmd and hyper md, applied to amorphous
3683 author = "W. J. Taylor and T. Y. Tan and U. G{\"{o}}sele",
3685 title = "Carbon precipitation in silicon: Why is it so
3689 journal = "Appl. Phys. Lett.",
3692 pages = "3336--3338",
3693 keywords = "SILICON; CARBON ADDITIONS; OXYGEN ADDITIONS; DOPED
3694 MATERIALS; PRECIPITATION; THERMODYNAMICS; SURFACE
3696 URL = "http://link.aip.org/link/?APL/62/3336/1",
3697 doi = "10.1063/1.109063",
3698 notes = "interfacial energy of cubic sic and si, si self
3699 interstitials necessary for precipitation, volume
3700 decrease, high interface energy",
3703 @Article{chaussende08,
3704 title = "Prospects for 3{C}-Si{C} bulk crystal growth",
3705 journal = "J. Cryst. Growth",
3710 note = "Proceedings of the E-MRS Conference, Symposium G -
3711 Substrates of Wide Bandgap Materials",
3713 doi = "DOI: 10.1016/j.jcrysgro.2007.11.140",
3714 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4R7J67S-F/2/e92fc194b652409f5b119393d608b082",
3715 author = "D. Chaussende and F. Mercier and A. Boulle and F.
3716 Conchon and M. Soueidan and G. Ferro and A. Mantzari
3717 and A. Andreadou and E. K. Polychroniadis and C.
3718 Balloud and S. Juillaguet and J. Camassel and M. Pons",
3719 notes = "3c-sic crystal growth, sic fabrication + links,
3723 @Article{chaussende07,
3724 author = "D. Chaussende and P. J. Wellmann and M. Pons",
3725 title = "Status of Si{C} bulk growth processes",
3726 journal = "J. Phys. D",
3730 URL = "http://stacks.iop.org/0022-3727/40/i=20/a=S02",
3732 notes = "review of sic single crystal growth methods, process
3737 title = "Forces in Molecules",
3738 author = "R. P. Feynman",
3739 journal = "Phys. Rev.",
3746 doi = "10.1103/PhysRev.56.340",
3747 publisher = "American Physical Society",
3748 notes = "hellmann feynman forces",
3752 title = "Bonding Arrangements at the $Si-Si{O}_{2}$ and
3753 $Si{C}-Si{O}_{2}$ Interfaces and a Possible Origin of
3754 their Contrasting Properties",
3755 author = "Ryszard Buczko and Stephen J. Pennycook and Sokrates
3757 journal = "Phys. Rev. Lett.",
3764 doi = "10.1103/PhysRevLett.84.943",
3765 publisher = "American Physical Society",
3766 notes = "si sio2 and sic sio2 interface",
3769 @Article{djurabekova08,
3770 title = "Atomistic simulation of the interface structure of Si
3771 nanocrystals embedded in amorphous silica",
3772 author = "Flyura Djurabekova and Kai Nordlund",
3773 journal = "Phys. Rev. B",
3780 doi = "10.1103/PhysRevB.77.115325",
3781 publisher = "American Physical Society",
3782 notes = "nc-si in sio2, interface energy, nc construction,
3783 angular distribution, coordination",
3787 author = "C. Wen and Y. M. Wang and W. Wan and F. H. Li and J.
3788 W. Liang and J. Zou",
3790 title = "Nature of interfacial defects and their roles in
3791 strain relaxation at highly lattice mismatched
3792 3{C}-Si{C}/Si (001) interface",
3795 journal = "J. Appl. Phys.",
3801 keywords = "anelastic relaxation; crystal structure; dislocations;
3802 elemental semiconductors; semiconductor growth;
3803 semiconductor thin films; silicon; silicon compounds;
3804 stacking faults; wide band gap semiconductors",
3805 URL = "http://link.aip.org/link/?JAP/106/073522/1",
3806 doi = "10.1063/1.3234380",
3807 notes = "sic/si interface, follow refs, tem image
3808 deconvolution, dislocation defects",
3811 @Article{kitabatake93,
3812 author = "Makoto Kitabatake and Masahiro Deguchi and Takashi
3815 title = "Simulations and experiments of Si{C} heteroepitaxial
3816 growth on Si(001) surface",
3819 journal = "J. Appl. Phys.",
3822 pages = "4438--4445",
3823 keywords = "SILICON CARBIDES; FILM GROWTH; SIMULATION; MOLECULAR
3824 BEAM EPITAXY; MOLECULAR DYNAMICS CALCULATIONS; SILICON;
3825 MICROSTRUCTURE; ULTRAVIOLET RADIATION; IRRADIATION",
3826 URL = "http://link.aip.org/link/?JAP/74/4438/1",
3827 doi = "10.1063/1.354385",
3828 notes = "mbe and md of sic growth on si, 4 to 5 shrinkage
3832 @Article{kitabatake97,
3833 author = "Makoto Kitabatake",
3834 title = "Simulations and Experiments of 3{C}-Si{C}/Si
3835 Heteroepitaxial Growth",
3836 publisher = "WILEY-VCH Verlag",
3838 journal = "phys. status solidi (b)",
3841 URL = "http://dx.doi.org/10.1002/1521-3951(199707)202:1<405::AID-PSSB405>3.0.CO;2-5",
3842 doi = "10.1002/1521-3951(199707)202:1<405::AID-PSSB405>3.0.CO;2-5",
3843 notes = "3c-sic heteroepitaxial growth on si off-axis model",
3847 title = "Strain relaxation and thermal stability of the
3848 3{C}-Si{C}(001)/Si(001) interface: {A} molecular
3850 journal = "Thin Solid Films",
3857 doi = "DOI: 10.1016/S0040-6090(96)09257-7",
3858 URL = "http://www.sciencedirect.com/science/article/B6TW0-41WBB52-C/2/6ef684a04d02dd3b108f972377cde8f4",
3859 author = "V. Chirita and L. Hultman and L. R. Wallenberg",
3860 keywords = "Strain relaxation",
3861 keywords = "Interfaces",
3862 keywords = "Thermal stability",
3863 keywords = "Molecular dynamics",
3864 notes = "tersoff sic/si interface study",
3868 title = "Ab initio Study of Misfit Dislocations at the
3869 $Si{C}/Si(001)$ Interface",
3870 author = "Giancarlo Cicero and Laurent Pizzagalli and Alessandra
3872 journal = "Phys. Rev. Lett.",
3879 doi = "10.1103/PhysRevLett.89.156101",
3880 publisher = "American Physical Society",
3881 notes = "sic/si interface study",
3884 @Article{pizzagalli03,
3885 title = "Theoretical investigations of a highly mismatched
3886 interface: Si{C}/Si(001)",
3887 author = "Laurent Pizzagalli and Giancarlo Cicero and Alessandra
3889 journal = "Phys. Rev. B",
3896 doi = "10.1103/PhysRevB.68.195302",
3897 publisher = "American Physical Society",
3898 notes = "tersoff md and ab initio sic/si interface study",
3902 title = "Atomic configurations of dislocation core and twin
3903 boundaries in $ 3{C}-Si{C} $ studied by high-resolution
3904 electron microscopy",
3905 author = "C. Y. Tang and F. H. Li and R. Wang and J. Zou and X.
3906 H. Zheng and J. W. Liang",
3907 journal = "Phys. Rev. B",
3914 doi = "10.1103/PhysRevB.75.184103",
3915 publisher = "American Physical Society",
3916 notes = "hrem image deconvolution on 3c-sic on si, distinguish
3920 @Article{hornstra58,
3921 title = "Dislocations in the diamond lattice",
3922 journal = "J. Phys. Chem. Solids",
3929 doi = "DOI: 10.1016/0022-3697(58)90138-0",
3930 URL = "http://www.sciencedirect.com/science/article/B6TXR-46MMPHJ-10D/2/7176c01c29cd4e73faa26ab2aacdcea5",
3931 author = "J. Hornstra",
3932 notes = "dislocations in diamond lattice",
3936 title = "Synthesis of $\beta$-Si{C} Layer in Silicon by Carbon
3937 Ion `Hot' Implantation",
3938 author = "Masahiro Deguchi and Makoto Kitabatake and Takashi
3939 Hirao and Naoki Arai and Tomio Izumi",
3940 journal = "Japanese J. Appl. Phys.",
3942 number = "Part 1, No. 2A",
3946 URL = "http://jjap.ipap.jp/link?JJAP/31/343/",
3947 doi = "10.1143/JJAP.31.343",
3948 publisher = "The Japan Society of Applied Physics",
3949 notes = "c-c bonds in c implanted si, hot implantation
3950 efficiency, c-c hard to break by thermal annealing",
3953 @Article{eichhorn99,
3954 author = "F. Eichhorn and N. Schell and W. Matz and R.
3957 title = "Strain and Si{C} particle formation in silicon
3958 implanted with carbon ions of medium fluence studied by
3959 synchrotron x-ray diffraction",
3962 journal = "J. Appl. Phys.",
3965 pages = "4184--4187",
3966 keywords = "silicon; carbon; elemental semiconductors; chemical
3967 interdiffusion; ion implantation; X-ray diffraction;
3968 precipitation; semiconductor doping",
3969 URL = "http://link.aip.org/link/?JAP/86/4184/1",
3970 doi = "10.1063/1.371344",
3971 notes = "sic conversion by ibs, detected substitutional carbon,
3972 expansion of si lattice",
3975 @Article{eichhorn02,
3976 author = "F. Eichhorn and N. Schell and A. M{\"{u}}cklich and H.
3977 Metzger and W. Matz and R. K{\"{o}}gler",
3979 title = "Structural relation between Si and Si{C} formed by
3980 carbon ion implantation",
3983 journal = "J. Appl. Phys.",
3986 pages = "1287--1292",
3987 keywords = "silicon compounds; wide band gap semiconductors; ion
3988 implantation; annealing; X-ray scattering; transmission
3989 electron microscopy",
3990 URL = "http://link.aip.org/link/?JAP/91/1287/1",
3991 doi = "10.1063/1.1428105",
3992 notes = "3c-sic alignement to si host in ibs depending on
3993 temperature, might explain c into c sub trafo",
3997 author = "G Lucas and M Bertolus and L Pizzagalli",
3998 title = "An environment-dependent interatomic potential for
3999 silicon carbide: calculation of bulk properties,
4000 high-pressure phases, point and extended defects, and
4001 amorphous structures",
4002 journal = "J. Phys.: Condens. Matter",
4006 URL = "http://stacks.iop.org/0953-8984/22/i=3/a=035802",
4012 author = "J Godet and L Pizzagalli and S Brochard and P
4014 title = "Comparison between classical potentials and ab initio
4015 methods for silicon under large shear",
4016 journal = "J. Phys.: Condens. Matter",
4020 URL = "http://stacks.iop.org/0953-8984/15/i=41/a=004",
4022 notes = "comparison of empirical potentials, stillinger weber,
4023 edip, tersoff, ab initio",
4026 @Article{moriguchi98,
4027 title = "Verification of Tersoff's Potential for Static
4028 Structural Analysis of Solids of Group-{IV} Elements",
4029 author = "Koji Moriguchi and Akira Shintani",
4030 journal = "Japanese J. Appl. Phys.",
4032 number = "Part 1, No. 2",
4036 URL = "http://jjap.ipap.jp/link?JJAP/37/414/",
4037 doi = "10.1143/JJAP.37.414",
4038 publisher = "The Japan Society of Applied Physics",
4039 notes = "tersoff stringent test",
4042 @Article{mazzarolo01,
4043 title = "Low-energy recoils in crystalline silicon: Quantum
4045 author = "Massimiliano Mazzarolo and Luciano Colombo and Giorgio
4046 Lulli and Eros Albertazzi",
4047 journal = "Phys. Rev. B",
4054 doi = "10.1103/PhysRevB.63.195207",
4055 publisher = "American Physical Society",
4058 @Article{holmstroem08,
4059 title = "Threshold defect production in silicon determined by
4060 density functional theory molecular dynamics
4062 author = "E. Holmstr{\"o}m and A. Kuronen and K. Nordlund",
4063 journal = "Phys. Rev. B",
4070 doi = "10.1103/PhysRevB.78.045202",
4071 publisher = "American Physical Society",
4072 notes = "threshold displacement comparison empirical and ab
4076 @Article{nordlund97,
4077 title = "Repulsive interatomic potentials calculated using
4078 Hartree-Fock and density-functional theory methods",
4079 journal = "Nucl. Instrum. Methods Phys. Res. B",
4086 doi = "DOI: 10.1016/S0168-583X(97)00447-3",
4087 URL = "http://www.sciencedirect.com/science/article/B6TJN-4CP0TGF-91/2/1a9100c0aae82d2d258fc83dfdba23c1",
4088 author = "K. Nordlund and N. Runeberg and D. Sundholm",
4089 notes = "repulsive ab initio potential",
4093 title = "Efficiency of ab-initio total energy calculations for
4094 metals and semiconductors using a plane-wave basis
4096 journal = "Comput. Mater. Sci.",
4103 doi = "DOI: 10.1016/0927-0256(96)00008-0",
4104 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74",
4105 author = "G. Kresse and J. Furthm{\"{u}}ller",
4110 title = "Projector augmented-wave method",
4111 author = "P. E. Bl{\"o}chl",
4112 journal = "Phys. Rev. B",
4115 pages = "17953--17979",
4119 doi = "10.1103/PhysRevB.50.17953",
4120 publisher = "American Physical Society",
4121 notes = "paw method",
4124 @InCollection{cohen70,
4125 title = "The Fitting of Pseudopotentials to Experimental Data
4126 and Their Subsequent Application",
4127 editor = "Frederick Seitz Henry Ehrenreich and David Turnbull",
4128 publisher = "Academic Press",
4132 series = "Solid State Physics",
4134 doi = "DOI: 10.1016/S0081-1947(08)60070-3",
4135 URL = "http://www.sciencedirect.com/science/article/B8GXT-4S9NXKG-9/2/ba01db77c8b19c2bab01506d4ea571b3",
4136 author = "Marvin L. Cohen and Volker Heine",
4140 title = "Nanostructures: Theory and Modelling",
4141 author = "Christophe Delerue and Michel Lannoo",
4143 publisher = "Springer",
4147 title = "Development of a nanoelectronic 3-{D} ({NEMO} 3-{D})
4148 simulator for multimillion atom simulations and its
4149 application to alloyed quantum dots",
4150 author = "Gerhard Klimeck and Fabiano Oyafuso and Timothy B
4151 Boykin and R Chris Bowen and Paul von Allmen",
4153 journal = "Comput. Modeling Eng. Sci.",
4159 title = "Atomistic simulation of realistically sized
4160 nanodevices using {NEMO} 3-{D}¿Part {I}: Models and
4162 author = "Gerhard Klimeck and Shaikh Shahid Ahmed and Hansang
4163 Bae and Neerav Kharche and Steve Clark and Benjamin
4164 Haley and Sunhee Lee and Maxim Naumov and Hoon Ryu and
4165 Faisal Saied and others",
4166 journal = "Electron Devices, IEEE Transactions on",
4169 pages = "2079--2089",
4175 title = "Norm-Conserving Pseudopotentials",
4176 author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
4177 journal = "Phys. Rev. Lett.",
4180 pages = "1494--1497",
4184 doi = "10.1103/PhysRevLett.43.1494",
4185 publisher = "American Physical Society",
4186 notes = "norm-conserving pseudopotentials",
4189 @Article{kleinman82,
4190 journal = "Phys. Rev. Lett.",
4192 doi = "10.1103/PhysRevLett.48.1425",
4194 author = "Leonard Kleinman and D. M. Bylander",
4195 title = "Efficacious Form for Model Pseudopotentials",
4197 URL = "http://link.aps.org/doi/10.1103/PhysRevLett.48.1425",
4198 publisher = "American Physical Society",
4199 pages = "1425--1428",
4203 @Article{troullier91,
4204 title = "Efficient pseudopotentials for plane-wave
4206 author = "N. Troullier and Jos\'e Luriaas Martins",
4207 journal = "Phys. Rev. B",
4210 pages = "1993--2006",
4214 doi = "10.1103/PhysRevB.43.1993",
4215 publisher = "American Physical Society",
4218 @Article{vanderbilt90,
4219 title = "Soft self-consistent pseudopotentials in a generalized
4220 eigenvalue formalism",
4221 author = "David Vanderbilt",
4222 journal = "Phys. Rev. B",
4225 pages = "7892--7895",
4229 doi = "10.1103/PhysRevB.41.7892",
4230 publisher = "American Physical Society",
4231 notes = "vasp pseudopotentials",
4234 @Article{ceperley80,
4235 title = "Ground State of the Electron Gas by a Stochastic
4237 author = "D. M. Ceperley and B. J. Alder",
4238 journal = "Phys. Rev. Lett.",
4245 doi = "10.1103/PhysRevLett.45.566",
4246 publisher = "American Physical Society",
4250 title = "Self-interaction correction to density-functional
4251 approximations for many-electron systems",
4252 author = "J. P. Perdew and Alex Zunger",
4253 journal = "Phys. Rev. B",
4256 pages = "5048--5079",
4260 doi = "10.1103/PhysRevB.23.5048",
4261 publisher = "American Physical Society",
4265 title = "Accurate and simple density functional for the
4266 electronic exchange energy: Generalized gradient
4268 author = "John P. Perdew and Yue Wang",
4269 journal = "Phys. Rev. B",
4272 pages = "8800--8802",
4276 doi = "10.1103/PhysRevB.33.8800",
4277 publisher = "American Physical Society",
4278 notes = "rapid communication gga",
4282 title = "Generalized gradient approximations for exchange and
4283 correlation: {A} look backward and forward",
4284 journal = "Physica B",
4291 doi = "DOI: 10.1016/0921-4526(91)90409-8",
4292 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8GR9-3D/2/18e610a616e4d80b934079c89063ece7",
4293 author = "John P. Perdew",
4294 notes = "gga overview",
4298 title = "Atoms, molecules, solids, and surfaces: Applications
4299 of the generalized gradient approximation for exchange
4301 author = "John P. Perdew and J. A. Chevary and S. H. Vosko and
4302 Koblar A. Jackson and Mark R. Pederson and D. J. Singh
4303 and Carlos Fiolhais",
4304 journal = "Phys. Rev. B",
4307 pages = "6671--6687",
4311 doi = "10.1103/PhysRevB.46.6671",
4312 publisher = "American Physical Society",
4313 notes = "gga pw91 (as in vasp)",
4317 title = "Special Points in the Brillouin Zone",
4318 author = "D. J. Chadi and Marvin L. Cohen",
4319 journal = "Phys. Rev. B",
4322 pages = "5747--5753",
4326 doi = "10.1103/PhysRevB.8.5747",
4327 publisher = "American Physical Society",
4330 @Article{baldereschi73,
4331 title = "Mean-Value Point in the Brillouin Zone",
4332 author = "A. Baldereschi",
4333 journal = "Phys. Rev. B",
4336 pages = "5212--5215",
4340 doi = "10.1103/PhysRevB.7.5212",
4341 publisher = "American Physical Society",
4342 notes = "mean value k point",
4345 @Article{monkhorst76,
4346 title = "Special points for Brillouin-zone integrations",
4347 author = "Hendrik J. Monkhorst and James D. Pack",
4348 journal = "Phys. Rev. B",
4351 pages = "5188--5192",
4355 doi = "10.1103/PhysRevB.13.5188",
4356 publisher = "American Physical Society",
4360 title = "Ab initio pseudopotential calculations of dopant
4362 journal = "Comput. Mater. Sci.",
4369 doi = "DOI: 10.1016/S0927-0256(98)00023-8",
4370 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VB7F2K-7/2/aa864582273be8e054300efb7bd16a1b",
4371 author = "Jing Zhu",
4372 keywords = "TED (transient enhanced diffusion)",
4373 keywords = "Boron dopant",
4374 keywords = "Carbon dopant",
4375 keywords = "Defect",
4376 keywords = "ab initio pseudopotential method",
4377 keywords = "Impurity cluster",
4378 notes = "binding of c to si interstitial, c in si defects",
4382 author = "A. Nejim and P. L. F. Hemment and J. Stoemenos",
4384 title = "Si{C} buried layer formation by ion beam synthesis at
4388 journal = "Appl. Phys. Lett.",
4391 pages = "2646--2648",
4392 keywords = "SILICON; ION IMPLANTATION; CARBON IONS; SILICON
4393 CARBIDES; BURIED LAYERS; SYNTHESIS; KEV RANGE 100 --
4394 1000; CRYSTAL DEFECTS; MORPHOLOGY; RBS; TRANSMISSION
4395 ELECTRON MICROSCOPY",
4396 URL = "http://link.aip.org/link/?APL/66/2646/1",
4397 doi = "10.1063/1.113112",
4398 notes = "precipitation mechanism by substitutional carbon, si
4399 self interstitials react with further implanted c",
4403 author = "C. Guedj and M. W. Dashiell and L. Kulik and J.
4404 Kolodzey and A. Hairie",
4406 title = "Precipitation of beta-Si{C} in Si[sub 1 - y]{C}[sub y]
4410 journal = "J. Appl. Phys.",
4413 pages = "4631--4633",
4414 keywords = "silicon compounds; precipitation; localised modes;
4415 semiconductor epitaxial layers; infrared spectra;
4416 Fourier transform spectra; thermal stability;
4418 URL = "http://link.aip.org/link/?JAP/84/4631/1",
4419 doi = "10.1063/1.368703",
4420 notes = "coherent 3C-SiC, topotactic, critical coherence size",
4424 author = "R Jones and B J Coomer and P R Briddon",
4425 title = "Quantum mechanical modelling of defects in
4427 journal = "J. Phys.: Condens. Matter",
4431 URL = "http://stacks.iop.org/0953-8984/16/i=27/a=004",
4433 notes = "ab inito dft intro, vibrational modes, c defect in
4438 doi = "10.1103/RevModPhys.61.689",
4441 author = "R. O. Jones and O. Gunnarsson",
4443 URL = "http://link.aps.org/doi/10.1103/RevModPhys.61.689",
4444 publisher = "American Physical Society",
4445 title = "The density functional formalism, its applications and
4448 journal = "Rev. Mod. Phys.",
4450 notes = "dft intro",
4454 author = "S. Y. Park and J. D'Arcy-Gall and D. Gall and J. A. N.
4455 T Soares and Y.-W. Kim and H. Kim and P. Desjardins and
4456 J. E. Greene and S. G. Bishop",
4458 title = "Carbon incorporation pathways and lattice sites in
4459 Si[sub 1 - y]{C}[sub y] alloys grown on Si(001) by
4460 molecular-beam epitaxy",
4463 journal = "J. Appl. Phys.",
4466 pages = "5716--5727",
4467 URL = "http://link.aip.org/link/?JAP/91/5716/1",
4468 doi = "10.1063/1.1465122",
4469 notes = "c substitutional incorporation pathway, dft and expt",
4473 title = "Dynamic properties of interstitial carbon and
4474 carbon-carbon pair defects in silicon",
4475 author = "P. Leary and R. Jones and S. {\"O}berg and V. J. B.
4477 journal = "Phys. Rev. B",
4480 pages = "2188--2194",
4484 doi = "10.1103/PhysRevB.55.2188",
4485 publisher = "American Physical Society",
4486 notes = "ab initio c in si and di-carbon defect, no formation
4487 energies, different migration barriers and paths",
4491 title = "Interstitial carbon and the carbon-carbon pair in
4492 silicon: Semiempirical electronic-structure
4494 author = "Matthew J. Burnard and Gary G. DeLeo",
4495 journal = "Phys. Rev. B",
4498 pages = "10217--10225",
4502 doi = "10.1103/PhysRevB.47.10217",
4503 publisher = "American Physical Society",
4504 notes = "semi empirical mndo, pm3 and mindo3 c in si and di
4505 carbon defect, formation energies",
4509 title = "Electronic structure of interstitial carbon in
4511 author = "Morgan Besson and Gary G. DeLeo",
4512 journal = "Phys. Rev. B",
4515 pages = "4028--4033",
4519 doi = "10.1103/PhysRevB.43.4028",
4520 publisher = "American Physical Society",
4524 title = "Review of atomistic simulations of surface diffusion
4525 and growth on semiconductors",
4526 journal = "Comput. Mater. Sci.",
4531 note = "Proceedings of the Workshop on Virtual Molecular Beam
4534 doi = "DOI: 10.1016/0927-0256(96)00030-4",
4535 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VSFF1G-7/2/afc8408b00ded1ca2dc3ad1686c2dae6",
4536 author = "Efthimios Kaxiras",
4537 notes = "might contain c 100 db formation energy, overview md,
4538 tight binding, first principles",
4541 @Article{kaukonen98,
4542 title = "Effect of {N} and {B} doping on the growth of {CVD}
4544 $(100):{H}(2\ifmmode\times\else\texttimes\fi{}1)$
4546 author = "M. Kaukonen and P. K. Sitch and G. Jungnickel and R.
4547 M. Nieminen and Sami P{\"o}ykk{\"o} and D. Porezag and
4549 journal = "Phys. Rev. B",
4552 pages = "9965--9970",
4556 doi = "10.1103/PhysRevB.57.9965",
4557 publisher = "American Physical Society",
4558 notes = "constrained conjugate gradient relaxation technique
4563 title = "Correlation between the antisite pair and the ${DI}$
4565 author = "A. Gali and P. De\'ak and E. Rauls and N. T. Son and
4566 I. G. Ivanov and F. H. C. Carlsson and E. Janz\'en and
4568 journal = "Phys. Rev. B",
4575 doi = "10.1103/PhysRevB.67.155203",
4576 publisher = "American Physical Society",
4580 title = "Production and recovery of defects in Si{C} after
4581 irradiation and deformation",
4582 journal = "J. Nucl. Mater.",
4585 pages = "1803--1808",
4589 doi = "DOI: 10.1016/S0022-3115(98)00139-1",
4590 URL = "http://www.sciencedirect.com/science/article/B6TXN-43G486N-47/2/56905f48f025ab98e5de4d6cde09c62b",
4591 author = "J. Chen and P. Jung and H. Klein",
4595 title = "Accumulation, dynamic annealing and thermal recovery
4596 of ion-beam-induced disorder in silicon carbide",
4597 journal = "Nucl. Instrum. Methods Phys. Res. B",
4604 doi = "DOI: 10.1016/S0168-583X(00)00542-5",
4605 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KH7Y-2R/2/8acc176700c95bb8614d96c40cfc5577",
4606 author = "W. J. Weber and W. Jiang and S. Thevuthasan",
4609 @Article{bockstedte03,
4610 title = "Ab initio study of the migration of intrinsic defects
4612 author = "Michel Bockstedte and Alexander Mattausch and Oleg
4614 journal = "Phys. Rev. B",
4621 doi = "10.1103/PhysRevB.68.205201",
4622 publisher = "American Physical Society",
4623 notes = "defect migration in sic",
4627 title = "Theoretical study of vacancy diffusion and
4628 vacancy-assisted clustering of antisites in Si{C}",
4629 author = "E. Rauls and Th. Frauenheim and A. Gali and P.
4631 journal = "Phys. Rev. B",
4638 doi = "10.1103/PhysRevB.68.155208",
4639 publisher = "American Physical Society",
4643 journal = "Telegrafiya i Telefoniya bez Provodov",
4647 author = "O. V. Lossev",
4651 title = "Luminous carborundum detector and detection effect and
4652 oscillations with crystals",
4653 journal = "Philos. Mag. Series 7",
4656 pages = "1024--1044",
4658 URL = "http://www.informaworld.com/10.1080/14786441108564683",
4659 author = "O. V. Lossev",
4663 journal = "Physik. Zeitschr.",
4667 author = "O. V. Lossev",
4671 journal = "Physik. Zeitschr.",
4675 author = "O. V. Lossev",
4679 journal = "Physik. Zeitschr.",
4683 author = "O. V. Lossev",
4687 title = "A note on carborundum",
4688 journal = "Electrical World",
4692 author = "H. J. Round",
4695 @Article{vashishath08,
4696 title = "Recent trends in silicon carbide device research",
4697 journal = "Mj. Int. J. Sci. Tech.",
4702 author = "Munish Vashishath and Ashoke K. Chatterjee",
4703 URL = "http://www.doaj.org/doaj?func=abstract&id=286746",
4704 notes = "sic polytype electronic properties",
4708 author = "W. E. Nelson and F. A. Halden and A. Rosengreen",
4710 title = "Growth and Properties of beta-Si{C} Single Crystals",
4713 journal = "J. Appl. Phys.",
4717 URL = "http://link.aip.org/link/?JAP/37/333/1",
4718 doi = "10.1063/1.1707837",
4719 notes = "sic melt growth",
4723 author = "A. E. van Arkel and J. H. de Boer",
4724 title = "Darstellung von reinem Titanium-, Zirkonium-, Hafnium-
4726 publisher = "WILEY-VCH Verlag GmbH",
4728 journal = "Z. Anorg. Chem.",
4731 URL = "http://dx.doi.org/10.1002/zaac.19251480133",
4732 doi = "10.1002/zaac.19251480133",
4733 notes = "van arkel apparatus",
4737 author = "K. Moers",
4739 journal = "Z. Anorg. Chem.",
4742 notes = "sic by van arkel apparatus, pyrolitical vapor growth
4747 author = "J. T. Kendall",
4748 title = "Electronic Conduction in Silicon Carbide",
4751 journal = "J. Chem. Phys.",
4755 URL = "http://link.aip.org/link/?JCP/21/821/1",
4756 notes = "sic by van arkel apparatus, pyrolitical vapor growth
4761 author = "J. A. Lely",
4763 journal = "Ber. Deut. Keram. Ges.",
4766 notes = "lely sublimation growth process",
4769 @Article{knippenberg63,
4770 author = "W. F. Knippenberg",
4772 journal = "Philips Res. Repts.",
4775 notes = "acheson process",
4778 @Article{hoffmann82,
4779 author = "L. Hoffmann and G. Ziegler and D. Theis and C.
4782 title = "Silicon carbide blue light emitting diodes with
4783 improved external quantum efficiency",
4786 journal = "J. Appl. Phys.",
4789 pages = "6962--6967",
4790 keywords = "light emitting diodes; silicon carbides; quantum
4791 efficiency; visible radiation; experimental data;
4792 epitaxy; fabrication; medium temperature; layers;
4793 aluminium; nitrogen; substrates; pn junctions;
4794 electroluminescence; spectra; current density;
4796 URL = "http://link.aip.org/link/?JAP/53/6962/1",
4797 doi = "10.1063/1.330041",
4798 notes = "blue led, sublimation process",
4802 author = "Philip Neudeck",
4803 affiliation = "NASA Lewis Research Center M.S. 77-1, 21000 Brookpark
4804 Road 44135 Cleveland OH",
4805 title = "Progress in silicon carbide semiconductor electronics
4807 journal = "J. Electron. Mater.",
4808 publisher = "Springer Boston",
4810 keyword = "Chemistry and Materials Science",
4814 URL = "http://dx.doi.org/10.1007/BF02659688",
4815 note = "10.1007/BF02659688",
4817 notes = "sic data, advantages of 3c sic",
4820 @InProceedings{pribble02,
4821 author = "W. L. Pribble and J. W. Palmour and S. T. Sheppard and
4822 R. P. Smith and S. T. Allen and T. J. Smith and Z. Ring
4823 and J. J. Sumakeris and A. W. Saxler and J. W.
4825 booktitle = "2002 IEEE MTT-S International Microwave Symposium
4827 title = "Applications of Si{C} {MESFET}s and Ga{N} {HEMT}s in
4828 power amplifier design",
4833 pages = "1819--1822",
4834 doi = "10.1109/MWSYM.2002.1012216",
4839 @InProceedings{temcamani01,
4840 author = "F. Temcamani and P. Pouvil and O. Noblanc and C.
4841 Brylinski and P. Bannelier and B. Darges and J. P.
4843 booktitle = "2001 IEEE MTT-S International Microwave Symposium
4845 title = "Silicon carbide {MESFET}s performances and application
4846 in broadcast power amplifiers",
4852 doi = "10.1109/MWSYM.2001.966976",
4858 author = "Gerhard Pensl and Michael Bassler and Florin Ciobanu
4859 and Valeri Afanas'ev and Hiroshi Yano and Tsunenobu
4860 Kimoto and Hiroyuki Matsunami",
4861 title = "Traps at the Si{C}/Si{O2}-Interface",
4862 journal = "MRS Proc.",
4867 doi = "10.1557/PROC-640-H3.2",
4868 URL = "http://dx.doi.org/10.1557/PROC-640-H3.2",
4871 @Article{bhatnagar93,
4872 author = "M. Bhatnagar and B. J. Baliga",
4873 journal = "IEEE Trans. Electron Devices",
4874 title = "Comparison of 6{H}-Si{C}, 3{C}-Si{C}, and Si for power
4881 keywords = "3C-SiC;50 to 5000 V;6H-SiC;Schottky
4882 rectifiers;Si;SiC;breakdown voltages;drift region
4883 properties;output characteristics;power MOSFETs;power
4884 semiconductor devices;switching characteristics;thermal
4885 analysis;Schottky-barrier diodes;electric breakdown of
4886 solids;insulated gate field effect transistors;power
4887 transistors;semiconductor materials;silicon;silicon
4888 compounds;solid-state rectifiers;thermal analysis;",
4889 doi = "10.1109/16.199372",
4891 notes = "comparison 3c 6h sic and si devices",
4895 author = "Sei-Hyung Ryu and A. K. Agarwal and R. Singh and J. W.
4897 journal = "IEEE Electron Device Lett.",
4898 title = "1800 {V} {NPN} bipolar junction transistors in
4905 keywords = "1800 V;4H-SiC high-voltage n-p-n bipolar junction
4906 transistor;SiC;blocking voltage;current gain;deep level
4907 acceptor;minority carrier lifetime;on-resistance;power
4908 switching device;temperature coefficient;carrier
4909 lifetime;deep levels;minority carriers;power bipolar
4910 transistors;silicon compounds;wide band gap
4912 doi = "10.1109/55.910617",
4917 author = "B. J. Baliga",
4918 journal = "IEEE Trans. Electron Devices",
4919 title = "Trends in power semiconductor devices",
4924 pages = "1717--1731",
4925 keywords = "DMOS technology;GTO;GaAs;IGBT;MOS-gated
4926 devices;MOS-gated thyristors;MPS rectifier;PIN
4927 rectifier;Schottky rectifier;Si;SiC;SiC based
4928 switches;TMBS rectifier;UMOS technology;VMOS
4929 technology;bipolar power transistor;high voltage power
4930 rectifiers;low voltage power rectifiers;power
4931 MOSFET;power losses;power semiconductor devices;power
4932 switch technology;review;semiconductor device
4933 technology;MOS-controlled thyristors;bipolar transistor
4934 switches;field effect transistor switches;gallium
4935 arsenide;insulated gate bipolar transistors;p-i-n
4936 diodes;power bipolar transistors;power field effect
4937 transistors;power semiconductor devices;power
4938 semiconductor diodes;power semiconductor
4939 switches;reviews;silicon;silicon compounds;solid-state
4940 rectifiers;thyristors;",
4941 doi = "10.1109/16.536818",
4945 @Article{bhatnagar92,
4946 author = "M. Bhatnagar and P. K. McLarty and B. J. Baliga",
4947 journal = "IEEE Electron Device Lett.",
4948 title = "Silicon-carbide high-voltage (400 {V}) Schottky
4955 keywords = "1.1 V;25 to 200 C;400 V;6H-SiC;Pt-SiC;Schottky barrier
4957 voltages;characteristics;fabrication;forward I-V
4958 characteristics;forward voltage drop;on-state current
4959 density;rectifiers;reverse I-V characteristics;reverse
4960 recovery characteristics;sharp breakdown;temperature
4961 range;Schottky-barrier diodes;platinum;power
4962 electronics;semiconductor materials;silicon
4963 compounds;solid-state rectifiers;",
4964 doi = "10.1109/55.192814",
4969 author = "P. G. Neudeck and D. J. Larkin and J. E. Starr and J.
4970 A. Powell and C. S. Salupo and L. G. Matus",
4971 journal = "IEEE Trans. Electron Devices",
4972 title = "Electrical properties of epitaxial 3{C}- and
4973 6{H}-Si{C} p-n junction diodes produced side-by-side on
4974 6{H}-Si{C} substrates",
4980 keywords = "20 nA;200 micron;300 to 1100 V;3C-SiC layers;400
4981 C;6H-SiC layers;6H-SiC substrates;CVD
4982 process;SiC;chemical vapor deposition;doping;electrical
4983 properties;epitaxial layers;light
4984 emission;low-tilt-angle 6H-SiC substrates;p-n junction
4985 diodes;polytype;rectification characteristics;reverse
4986 leakage current;reverse voltages;temperature;leakage
4987 currents;power electronics;semiconductor
4988 diodes;semiconductor epitaxial layers;semiconductor
4989 growth;semiconductor materials;silicon
4990 compounds;solid-state rectifiers;substrates;vapour
4991 phase epitaxial growth;",
4992 doi = "10.1109/16.285038",
4994 notes = "comparison 6h 3c sic, cvd of 3c and 6h on single 6h
4999 author = "C. E. Weitzel and J. W. Palmour and Jr. {Carter, C.H.}
5000 and K. Moore and K. K. Nordquist and S. Allen and C.
5001 Thero and M. Bhatnagar",
5002 journal = "IEEE Trans. Electron Devices",
5003 title = "Silicon carbide high-power devices",
5008 pages = "1732--1741",
5009 keywords = "1200 V;1400 V;4H-SiC;500 MHz to 32 GHz;57 W;Schottky
5010 barrier diodes;SiC;SiC devices;UMOSFET;current
5011 density;high electric breakdown field;high saturated
5012 electron drift velocity;high thermal
5013 conductivity;high-power devices;packaged SIT;submicron
5014 gate length MESFET;Schottky diodes;current
5015 density;electric breakdown;power MESFET;power
5016 MOSFET;power semiconductor devices;power semiconductor
5017 diodes;reviews;silicon compounds;static induction
5018 transistors;wide band gap semiconductors;",
5019 doi = "10.1109/16.536819",
5021 notes = "high power devices",
5025 author = "Lin Zhu and T. P. Chow",
5026 journal = "IEEE Trans. Electron Devices",
5027 title = "Advanced High-Voltage 4{H}-Si{C} Schottky Rectifiers",
5032 pages = "1871--1874",
5033 keywords = "H-SiC;OFF-state characteristics;ON-state
5034 characteristics;blocking capability;high-voltage
5035 Schottky rectifier;junction barrier Schottky
5036 rectifier;lateral channel JBS rectifier;leakage
5037 current;pinlike reverse characteristics;Schottky
5038 barriers;Schottky diodes;leakage currents;rectifying
5040 doi = "10.1109/TED.2008.926642",
5045 author = "D. M. Brown and E. T. Downey and M. Ghezzo and J. W.
5046 Kretchmer and R. J. Saia and Y. S. Liu and J. A. Edmond
5047 and G. Gati and J. M. Pimbley and W. E. Schneider",
5048 journal = "IEEE Trans. Electron Devices",
5049 title = "Silicon carbide {UV} photodiodes",
5055 keywords = "200 to 400 nm;6H epitaxial layers;SiC photodiodes;UV
5056 responsivity characteristics;low dark current;low light
5057 level UV detection;quantum
5058 efficiency;reproducibility;reverse current
5059 leakage;short circuit output current;leakage
5060 currents;photodiodes;semiconductor
5061 materials;short-circuit currents;silicon
5062 compounds;ultraviolet detectors;",
5063 doi = "10.1109/16.182509",
5065 notes = "sic photo diodes, uv detector",
5069 author = "Feng Yan and Xiaobin Xin and S. Aslam and Yuegang Zhao
5070 and D. Franz and J. H. Zhao and M. Weiner",
5071 journal = "IEEE J. Quantum Electron.",
5072 title = "4{H}-Si{C} {UV} photo detectors with large area and
5073 very high specific detectivity",
5078 pages = "1315--1320",
5079 keywords = "-1 V; 1.2E-14 A; 210 to 350 nm; 4H-SiC UV
5080 photodetectors; 5 mm; Pt/4H-SiC Schottky photodiodes;
5081 SiC-Pt; leakage current; photoresponse spectra; quantum
5082 efficiency; specific detectivity; Schottky diodes;
5083 photodetectors; platinum; silicon compounds; wide band
5084 gap semiconductors;",
5085 doi = "10.1109/JQE.2004.833196",
5087 notes = "uv detector",
5091 author = "N. Schulze and D. L. Barrett and G. Pensl",
5093 title = "Near-equilibrium growth of micropipe-free 6{H}-Si{C}
5094 single crystals by physical vapor transport",
5097 journal = "Appl. Phys. Lett.",
5100 pages = "1632--1634",
5101 keywords = "silicon compounds; semiconductor materials;
5102 semiconductor growth; crystal growth from vapour;
5103 photoluminescence; Hall mobility",
5104 URL = "http://link.aip.org/link/?APL/72/1632/1",
5105 doi = "10.1063/1.121136",
5106 notes = "micropipe free 6h-sic pvt growth",
5110 author = "F. C. Frank",
5111 title = "Capillary equilibria of dislocated crystals",
5112 journal = "Acta Crystallogr.",
5118 doi = "10.1107/S0365110X51001690",
5119 URL = "http://dx.doi.org/10.1107/S0365110X51001690",
5120 notes = "micropipe",
5124 author = "J. Heindl and H. P. Strunk and V. D. Heydemann and G.
5126 title = "Micropipes: Hollow Tubes in Silicon Carbide",
5127 journal = "phys. status solidi (a)",
5130 publisher = "WILEY-VCH Verlag",
5132 URL = "http://dx.doi.org/10.1002/1521-396X(199707)162:1<251::AID-PSSA251>3.0.CO;2-7",
5133 doi = "10.1002/1521-396X(199707)162:1<251::AID-PSSA251>3.0.CO;2-7",
5136 notes = "micropipe",
5139 @Article{neudeck94_2,
5140 author = "P. G. Neudeck and J. A. Powell",
5141 journal = "IEEE Electron Device Lett.",
5142 title = "Performance limiting micropipe defects in silicon
5149 keywords = "SiC;defect density;device ratings;epitaxially-grown pn
5150 junction devices;micropipe defects;power devices;power
5151 semiconductors;pre-avalanche reverse-bias point
5152 failures;p-n homojunctions;power
5153 electronics;semiconductor materials;silicon
5155 doi = "10.1109/55.285372",
5160 author = "P. Pirouz and C. M. Chorey and J. A. Powell",
5162 title = "Antiphase boundaries in epitaxially grown beta-Si{C}",
5165 journal = "Appl. Phys. Lett.",
5169 keywords = "SILICON CARBIDES; DOMAIN STRUCTURE; SCANNING ELECTRON
5170 MICROSCOPY; NUCLEATION; EPITAXIAL LAYERS; CHEMICAL
5171 VAPOR DEPOSITION; ETCHING; ETCH PITS; TRANSMISSION
5172 ELECTRON MICROSCOPY; ELECTRON MICROSCOPY; ANTIPHASE
5174 URL = "http://link.aip.org/link/?APL/50/221/1",
5175 doi = "10.1063/1.97667",
5176 notes = "apb 3c-sic heteroepitaxy on si",
5179 @Article{shibahara86,
5180 title = "Surface morphology of cubic Si{C}(100) grown on
5181 Si(100) by chemical vapor deposition",
5182 journal = "J. Cryst. Growth",
5189 doi = "DOI: 10.1016/0022-0248(86)90158-2",
5190 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46D26F7-1R/2/cfdbc7607352f3bc99d321303e3934e9",
5191 author = "Kentaro Shibahara and Shigehiro Nishino and Hiroyuki
5193 notes = "defects in 3c-sis cvd on si, anti phase boundaries",
5196 @Article{desjardins96,
5197 author = "P. Desjardins and J. E. Greene",
5199 title = "Step-flow epitaxial growth on two-domain surfaces",
5202 journal = "J. Appl. Phys.",
5205 pages = "1423--1434",
5206 keywords = "ADATOMS; COMPUTERIZED SIMULATION; DIFFUSION; EPITAXY;
5207 FILM GROWTH; SURFACE STRUCTURE",
5208 URL = "http://link.aip.org/link/?JAP/79/1423/1",
5209 doi = "10.1063/1.360980",
5210 notes = "apb model",
5214 author = "S. Henke and B. Stritzker and B. Rauschenbach",
5216 title = "Synthesis of epitaxial beta-Si{C} by {C}[sub 60]
5217 carbonization of silicon",
5220 journal = "J. Appl. Phys.",
5223 pages = "2070--2073",
5224 keywords = "SILICON CARBIDES; THIN FILMS; EPITAXY; CARBONIZATION;
5225 FULLERENES; ANNEALING; XRD; RBS; TWINNING; CRYSTAL
5227 URL = "http://link.aip.org/link/?JAP/78/2070/1",
5228 doi = "10.1063/1.360184",
5229 notes = "ssmbe of sic on si, lower temperatures",
5233 title = "Atomic layer epitaxy of cubic Si{C} by gas source
5234 {MBE} using surface superstructure",
5235 journal = "J. Cryst. Growth",
5242 doi = "DOI: 10.1016/0022-0248(89)90442-9",
5243 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46DFS6F-GF/2/a8e0abaef892c6d96992ff4751fdeda2",
5244 author = "Takashi Fuyuki and Michiaki Nakayama and Tatsuo
5245 Yoshinobu and Hiromu Shiomi and Hiroyuki Matsunami",
5246 notes = "gas source mbe of 3c-sic on 6h-sic",
5249 @Article{yoshinobu92,
5250 author = "Tatsuo Yoshinobu and Hideaki Mitsui and Iwao Izumikawa
5251 and Takashi Fuyuki and Hiroyuki Matsunami",
5253 title = "Lattice-matched epitaxial growth of single crystalline
5254 3{C}-Si{C} on 6{H}-Si{C} substrates by gas source
5255 molecular beam epitaxy",
5258 journal = "Appl. Phys. Lett.",
5262 keywords = "SILICON CARBIDES; HOMOJUNCTIONS; MOLECULAR BEAM
5263 EPITAXY; TWINNING; RHEED; TEMPERATURE EFFECTS;
5264 INTERFACE STRUCTURE",
5265 URL = "http://link.aip.org/link/?APL/60/824/1",
5266 doi = "10.1063/1.107430",
5267 notes = "gas source mbe of 3c-sic on 6h-sic",
5270 @Article{yoshinobu90,
5271 title = "Atomic level control in gas source {MBE} growth of
5273 journal = "J. Cryst. Growth",
5280 doi = "DOI: 10.1016/0022-0248(90)90575-6",
5281 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46YKT9W-HY/2/04dd57af2f42ee620895844e480a2736",
5282 author = "Tatsuo Yoshinobu and Michiaki Nakayama and Hiromu
5283 Shiomi and Takashi Fuyuki and Hiroyuki Matsunami",
5284 notes = "gas source mbe of 3c-sic on 3c-sic",
5288 title = "Atomic layer epitaxy controlled by surface
5289 superstructures in Si{C}",
5290 journal = "Thin Solid Films",
5297 doi = "DOI: 10.1016/0040-6090(93)90159-M",
5298 URL = "http://www.sciencedirect.com/science/article/B6TW0-46NY79X-40/2/c9675e1d8c4bcebc7ce7d06e44e14f1f",
5299 author = "Takashi Fuyuki and Tatsuo Yoshinobu and Hiroyuki
5301 notes = "gas source mbe of 3c-sic on 3c-sic, atomic layer
5306 title = "Microscopic mechanisms of accurate layer-by-layer
5307 growth of [beta]-Si{C}",
5308 journal = "Thin Solid Films",
5315 doi = "DOI: 10.1016/0040-6090(93)90162-I",
5316 URL = "http://www.sciencedirect.com/science/article/B6TW0-46NY79X-43/2/18694bfe0e75b1f29a3cf5f90d19987c",
5317 author = "Shiro Hara and T. Meguro and Y. Aoyagi and M. Kawai
5318 and S. Misawa and E. Sakuma and S. Yoshida",
5319 notes = "gas source mbe of 3c-sic on 3c-sic, atomic layer
5324 author = "Satoru Tanaka and R. Scott Kern and Robert F. Davis",
5326 title = "Effects of gas flow ratio on silicon carbide thin film
5327 growth mode and polytype formation during gas-source
5328 molecular beam epitaxy",
5331 journal = "Appl. Phys. Lett.",
5334 pages = "2851--2853",
5335 keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; RHEED;
5336 TRANSMISSION ELECTRON MICROSCOPY; MORPHOLOGY;
5337 NUCLEATION; COALESCENCE; SURFACE RECONSTRUCTION; GAS
5339 URL = "http://link.aip.org/link/?APL/65/2851/1",
5340 doi = "10.1063/1.112513",
5341 notes = "gas source mbe of 6h-sic on 6h-sic",
5345 author = "T. Fuyuki and T. Hatayama and H. Matsunami",
5346 title = "Heterointerface Control and Epitaxial Growth of
5347 3{C}-Si{C} on Si by Gas Source Molecular Beam Epitaxy",
5348 publisher = "WILEY-VCH Verlag",
5350 journal = "phys. status solidi (b)",
5353 notes = "3c-sic heteroepitaxial growth on si by gsmbe, lower
5358 title = "Initial stage of Si{C} growth on Si(1 0 0) surface",
5359 journal = "J. Cryst. Growth",
5366 doi = "DOI: 10.1016/S0022-0248(97)00391-6",
5367 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3W8STD4-V/2/8de695de037d5e20b8326c4107547918",
5368 author = "T. Takaoka and H. Saito and Y. Igari and I. Kusunoki",
5369 keywords = "Reflection high-energy electron diffraction (RHEED)",
5370 keywords = "Scanning electron microscopy (SEM)",
5371 keywords = "Silicon carbide",
5372 keywords = "Silicon",
5373 keywords = "Island growth",
5374 notes = "lower temperature, 550-700",
5377 @Article{hatayama95,
5378 title = "Low-temperature heteroepitaxial growth of cubic Si{C}
5379 on Si using hydrocarbon radicals by gas source
5380 molecular beam epitaxy",
5381 journal = "J. Cryst. Growth",
5388 doi = "DOI: 10.1016/0022-0248(95)80077-P",
5389 URL = "http://www.sciencedirect.com/science/article/B6TJ6-47RY2F6-1P/2/49acd5c4545dd9fd3486f70a6c25586e",
5390 author = "Tomoaki Hatayama and Yoichiro Tarui and Takashi Fuyuki
5391 and Hiroyuki Matsunami",
5395 author = "Volker Heine and Ching Cheng and Richard J. Needs",
5396 title = "The Preference of Silicon Carbide for Growth in the
5397 Metastable Cubic Form",
5398 journal = "J. Am. Ceram. Soc.",
5401 publisher = "Blackwell Publishing Ltd",
5403 URL = "http://dx.doi.org/10.1111/j.1151-2916.1991.tb06811.x",
5404 doi = "10.1111/j.1151-2916.1991.tb06811.x",
5405 pages = "2630--2633",
5406 keywords = "silicon carbide, crystal growth, crystal structure,
5407 calculations, stability",
5409 notes = "3c-sic metastable, 3c-sic preferred growth, sic
5410 polytype dft calculation refs",
5413 @Article{allendorf91,
5414 title = "The adsorption of {H}-atoms on polycrystalline
5415 [beta]-silicon carbide",
5416 journal = "Surf. Sci.",
5423 doi = "DOI: 10.1016/0039-6028(91)90912-C",
5424 URL = "http://www.sciencedirect.com/science/article/B6TVX-46T3BSB-24V/2/534f1f4786088ceb88b6d31eccb096b3",
5425 author = "Mark D. Allendorf and Duane A. Outka",
5426 notes = "h adsorption on 3c-sic",
5429 @Article{eaglesham93,
5430 author = "D. J. Eaglesham and F. C. Unterwald and H. Luftman and
5431 D. P. Adams and S. M. Yalisove",
5433 title = "Effect of {H} on Si molecular-beam epitaxy",
5436 journal = "J. Appl. Phys.",
5439 pages = "6615--6618",
5440 keywords = "SILICON; MOLECULAR BEAM EPITAXY; HYDROGEN; SURFACE
5441 CONTAMINATION; SIMS; SEGREGATION; IMPURITIES;
5442 DIFFUSION; ADSORPTION",
5443 URL = "http://link.aip.org/link/?JAP/74/6615/1",
5444 doi = "10.1063/1.355101",
5445 notes = "h incorporation on si surface, lower surface
5450 author = "Ronald C. Newman",
5451 title = "Carbon in Crystalline Silicon",
5452 journal = "MRS Proc.",
5457 doi = "10.1557/PROC-59-403",
5458 URL = "http://dx.doi.org/10.1557/PROC-59-403",
5459 eprint = "http://journals.cambridge.org/article_S194642740054367X",
5463 title = "The diffusivity of carbon in silicon",
5464 journal = "J. Phys. Chem. Solids",
5471 doi = "DOI: 10.1016/0022-3697(61)90032-4",
5472 URL = "http://www.sciencedirect.com/science/article/B6TXR-46M72R1-4D/2/9235472e4c0a95bf7b995769474f5fbd",
5473 author = "R. C. Newman and J. Wakefield",
5474 notes = "diffusivity of substitutional c in si",
5478 author = "U. Gösele",
5479 title = "The Role of Carbon and Point Defects in Silicon",
5480 journal = "MRS Proc.",
5485 doi = "10.1557/PROC-59-419",
5486 URL = "http://dx.doi.org/10.1557/PROC-59-419",
5487 eprint = "http://journals.cambridge.org/article_S1946427400543681",
5490 @Article{mukashev82,
5491 title = "Defects in Carbon-Implanted Silicon",
5492 author = "Bulat N. Mukashev and Alexey V. Spitsyn and Noboru
5493 Fukuoka and Haruo Saito",
5494 journal = "Japanese J. Appl. Phys.",
5496 number = "Part 1, No. 2",
5500 URL = "http://jjap.jsap.jp/link?JJAP/21/399/",
5501 doi = "10.1143/JJAP.21.399",
5502 publisher = "The Japan Society of Applied Physics",
5506 title = "Convergence of supercell calculations for point
5507 defects in semiconductors: Vacancy in silicon",
5508 author = "M. J. Puska and S. P{\"o}ykk{\"o} and M. Pesola and R.
5510 journal = "Phys. Rev. B",
5513 pages = "1318--1325",
5517 doi = "10.1103/PhysRevB.58.1318",
5518 publisher = "American Physical Society",
5519 notes = "convergence k point supercell size, vacancy in
5524 author = "C. Serre and A. P\'{e}rez-Rodr\'{\i}guez and A.
5525 Romano-Rodr\'{\i}guez and J. R. Morante and R.
5526 K{\"{o}}gler and W. Skorupa",
5528 title = "Spectroscopic characterization of phases formed by
5529 high-dose carbon ion implantation in silicon",
5532 journal = "J. Appl. Phys.",
5535 pages = "2978--2984",
5536 keywords = "SILICON; ION IMPLANTATION; PHASE STUDIES; CARBON IONS;
5537 FOURIER TRANSFORM SPECTROSCOPY; RAMAN SPECTRA;
5538 PHOTOELECTRON SPECTROSCOPY; TEM; TEMPERATURE
5539 DEPENDENCE; PRECIPITATES; ANNEALING",
5540 URL = "http://link.aip.org/link/?JAP/77/2978/1",
5541 doi = "10.1063/1.358714",
5544 @Article{romano-rodriguez96,
5545 title = "Detailed analysis of [beta]-Si{C} formation by high
5546 dose carbon ion implantation in silicon",
5547 journal = "Materials Science and Engineering B",
5552 note = "European Materials Research Society 1995 Spring
5553 Meeting, Symposium N: Carbon, Hydrogen, Nitrogen, and
5554 Oxygen in Silicon and in Other Elemental
5557 doi = "DOI: 10.1016/0921-5107(95)01283-4",
5558 URL = "http://www.sciencedirect.com/science/article/B6TXF-3VR7691-25/2/995fd57b9e5c1100558f80c472620408",
5559 author = "A. Romano-Rodriguez and C. Serre and L. Calvo-Barrio
5560 and A. Pérez-Rodríguez and J. R. Morante and R. Kögler
5562 keywords = "Silicon",
5563 keywords = "Ion implantation",
5564 notes = "incoherent 3c-sic precipitate",
5567 @Article{davidson75,
5568 title = "The iterative calculation of a few of the lowest
5569 eigenvalues and corresponding eigenvectors of large
5570 real-symmetric matrices",
5571 journal = "J. Comput. Phys.",
5578 doi = "DOI: 10.1016/0021-9991(75)90065-0",
5579 URL = "http://www.sciencedirect.com/science/article/pii/0021999175900650",
5580 author = "Ernest R. Davidson",
5584 title = "Minima Moralia: Reflexionen aus dem besch{\"a}digten
5586 author = "T. W. Adorno",
5587 ISBN = "978-3-518-01236-9",
5588 URL = "http://books.google.com/books?id=coZqRAAACAAJ",
5590 publisher = "Suhrkamp",
5593 @Misc{attenberger03,
5594 author = "Wilfried Attenberger and Jörg Lindner and Bernd
5596 title = "A {method} {for} {forming} {a} {layered}
5597 {semiconductor} {structure} {and} {corresponding}
5602 note = "WO 2003/034484 A3R4",
5604 howpublished = "Patent Application",
5606 filing_num = "EP0211423",
5611 ipc_class = "7B 81C 1/00 B; 7H 01L 21/04 B; 7H 01L 21/265 B; 7H 01L
5612 21/322 B; 7H 01L 21/324 B; 7H 01L 21/74 A; 7H 01L
5613 21/762 B; 7H 01L 29/165 B; 7H 01L 33/00 B",
5615 abstract = "The following invention provides a method for forming
5616 a layered semiconductor structure having a layer (5) of
5617 a first semiconductor material on a substrate (1; 1')
5618 of at least one second semiconductor material,
5619 comprising the steps of: providing said substrate (1;
5620 1'); burying said layer (5) of said first semiconductor
5621 material in said substrate (1; 1'), said buried layer
5622 (5) having an upper surface (105) and a lower surface
5623 (105) and dividing said substrate (1; 1') into an upper
5624 part (1a) and a lower part (1b; 1b', 1c); creating a
5625 buried damage layer (10; 10'; 10'', 100'') which at
5626 least partly adjoins and/or at least partly includes
5627 said upper surface (105) of said buried layer (5); and
5628 removing said upper part (1a) of said substrate (1; 1')
5629 and said buried damage layer (10; 10'; 10'', 100'') for
5630 exposing said buried layer (5). The invention also
5631 provides a corresponding layered semiconductor
5636 author = "Alex Zunger",
5637 title = "Pseudopotential Theory of Semiconductor Quantum Dots",
5638 journal = "phys. status solidi (b)",
5641 publisher = "WILEY-VCH Verlag Berlin GmbH",
5643 URL = "http://dx.doi.org/10.1002/(SICI)1521-3951(200104)224:3<727::AID-PSSB727>3.0.CO;2-9",
5644 doi = "10.1002/(SICI)1521-3951(200104)224:3<727::AID-PSSB727>3.0.CO;2-9",
5646 keywords = "71.15.Dx, 73.21.La, S5.11, S5.12, S7.11, S7.12, S8.11,
5649 notes = "configuration-interaction method, ci",
5653 author = "Alex Zunger",
5654 title = "On the Farsightedness (hyperopia) of the Standard k ·
5656 journal = "phys. status solidi (a)",
5659 publisher = "WILEY-VCH Verlag Berlin GmbH",
5661 URL = "http://dx.doi.org/10.1002/1521-396X(200204)190:2<467::AID-PSSA467>3.0.CO;2-4",
5662 doi = "10.1002/1521-396X(200204)190:2<467::AID-PSSA467>3.0.CO;2-4",
5664 keywords = "73.20.At, 73.21.Cd, 73.21.La, 73.22.¿b, 78.20.Bh",
5668 @Article{robertson90,
5669 author = "I. J. Robertson and M. C. Payne",
5670 title = "k-point sampling and the k.p method in pseudopotential
5671 total energy calculations",
5672 journal = "Journal of Physics: Condensed Matter",
5676 URL = "http://stacks.iop.org/0953-8984/2/i=49/a=010",
5678 notes = "kp method",
5683 journal = "Phys. Rev. B",
5684 author = "Bj{\"o}rn Lange and Christoph Freysoldt and J{\"o}rg
5687 URL = "http://link.aps.org/doi/10.1103/PhysRevB.84.085101",
5688 doi = "10.1103/PhysRevB.84.085101",
5690 title = "Construction and performance of fully numerical
5691 optimum atomic basis sets",
5693 publisher = "American Physical Society",
5696 notes = "quamol, basis set, for planc",
5701 journal = "Phys. Rev. A",
5702 author = "Emilio Artacho and Lorenzo Mil\'ans del Bosch",
5704 URL = "http://link.aps.org/doi/10.1103/PhysRevA.43.5770",
5705 doi = "10.1103/PhysRevA.43.5770",
5707 title = "Nonorthogonal basis sets in quantum mechanics:
5708 Representations and second quantization",
5710 publisher = "American Physical Society",
5711 pages = "5770--5777",
5712 notes = "non-orthogonal basis set",
5716 author = "E. Artacho and D. Sánchez-Portal and P. Ordejón and
5717 A. García and J. M. Soler",
5718 title = "Linear-Scaling ab-initio Calculations for Large and
5720 journal = "physica status solidi (b)",
5723 publisher = "WILEY-VCH Verlag",
5725 URL = "http://dx.doi.org/10.1002/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0.CO;2-0",
5726 doi = "10.1002/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0.CO;2-0",
5732 author = "Per-Olov L{\"{o}}wdin",
5734 title = "On the Non-Orthogonality Problem Connected with the
5735 Use of Atomic Wave Functions in the Theory of Molecules
5739 journal = "The Journal of Chemical Physics",
5743 URL = "http://link.aip.org/link/?JCP/18/365/1",
5744 doi = "10.1063/1.1747632",
5745 notes = "non orthogonal basis set",
5749 author = "Per-Olov Löwdin",
5750 title = "Studies in perturbation theory {XIII}. Treatment of
5751 constants of motion in resolvent method, partitioning
5752 technique, and perturbation theory",
5753 journal = "International Journal of Quantum Chemistry",
5756 publisher = "John Wiley & Sons, Inc.",
5758 URL = "http://dx.doi.org/10.1002/qua.560020612",
5759 doi = "10.1002/qua.560020612",
5766 journal = "Phys. Rev. B",
5767 author = "D. J. Chadi",
5769 URL = "http://link.aps.org/doi/10.1103/PhysRevB.16.3572",
5770 doi = "10.1103/PhysRevB.16.3572",
5772 title = "Localized-orbital description of wave functions and
5773 energy bands in semiconductors",
5775 publisher = "American Physical Society",
5776 pages = "3572--3578",
5777 notes = "localized orbitals",
5782 journal = "Phys. Rev.",
5783 author = "E. Wigner and F. Seitz",
5785 URL = "http://link.aps.org/doi/10.1103/PhysRev.43.804",
5786 doi = "10.1103/PhysRev.43.804",
5788 title = "On the Constitution of Metallic Sodium",
5790 publisher = "American Physical Society",
5792 notes = "wigner seitz method",
5797 journal = "Phys. Rev.",
5798 author = "Conyers Herring",
5800 URL = "http://link.aps.org/doi/10.1103/PhysRev.57.1169",
5801 doi = "10.1103/PhysRev.57.1169",
5803 title = "A New Method for Calculating Wave Functions in
5806 publisher = "American Physical Society",
5807 pages = "1169--1177",
5808 notes = "orthogonalized plane wave method, opw",
5813 journal = "Phys. Rev.",
5814 author = "J. C. Slater",
5816 URL = "http://link.aps.org/doi/10.1103/PhysRev.92.603",
5817 doi = "10.1103/PhysRev.92.603",
5819 title = "An Augmented Plane Wave Method for the Periodic
5822 publisher = "American Physical Society",
5824 notes = "augmented plane wave method",
5827 @Article{phillips59,
5829 journal = "Phys. Rev.",
5830 author = "James C. Phillips and Leonard Kleinman",
5832 URL = "http://link.aps.org/doi/10.1103/PhysRev.116.287",
5833 doi = "10.1103/PhysRev.116.287",
5835 title = "New Method for Calculating Wave Functions in Crystals
5838 publisher = "American Physical Society",
5840 notes = "pseudo potential",
5845 journal = "Phys. Rev.",
5846 author = "B. J. Austin and V. Heine and L. J. Sham",
5848 URL = "http://link.aps.org/doi/10.1103/PhysRev.127.276",
5849 doi = "10.1103/PhysRev.127.276",
5851 title = "General Theory of Pseudopotentials",
5853 publisher = "American Physical Society",
5855 notes = "most general form of pseudo potential",
5860 journal = "Phys. Rev. B",
5861 author = "Xavier Gonze and Roland Stumpf and Matthias
5864 URL = "http://link.aps.org/doi/10.1103/PhysRevB.44.8503",
5865 doi = "10.1103/PhysRevB.44.8503",
5867 title = "Analysis of separable potentials",
5869 publisher = "American Physical Society",
5870 pages = "8503--8513",
5874 title = "{ABINIT}: First-principles approach to material and
5875 nanosystem properties",
5876 journal = "Computer Physics Communications",
5879 pages = "2582--2615",
5882 doi = "http://dx.doi.org/10.1016/j.cpc.2009.07.007",
5883 URL = "http://www.sciencedirect.com/science/article/pii/S0010465509002276",
5884 author = "X. Gonze and B. Amadon and P.-M. Anglade and J.-M.
5885 Beuken and F. Bottin and P. Boulanger and F. Bruneval
5886 and D. Caliste and R. Caracas and M. Côté and T.
5887 Deutsch and L. Genovese and Ph. Ghosez and M.
5888 Giantomassi and S. Goedecker and D. R. Hamann and P.
5889 Hermet and F. Jollet and G. Jomard and S. Leroux and M.
5890 Mancini and S. Mazevet and M. J. T. Oliveira and G.
5891 Onida and Y. Pouillon and T. Rangel and G.-M. Rignanese
5892 and D. Sangalli and R. Shaltaf and M. Torrent and M. J.
5893 Verstraete and G. Zerah and J. W. Zwanziger",
5898 journal = "Phys. Rev.",
5899 author = "Gregory H. Wannier",
5901 URL = "http://link.aps.org/doi/10.1103/PhysRev.52.191",
5902 doi = "10.1103/PhysRev.52.191",
5904 title = "The Structure of Electronic Excitation Levels in
5905 Insulating Crystals",
5907 publisher = "American Physical Society",
5913 journal = "Phys. Rev. B",
5914 author = "Nicola Marzari and David Vanderbilt",
5916 URL = "http://link.aps.org/doi/10.1103/PhysRevB.56.12847",
5917 doi = "10.1103/PhysRevB.56.12847",
5919 title = "Maximally localized generalized Wannier functions for
5920 composite energy bands",
5922 publisher = "American Physical Society",
5923 pages = "12847--12865",
5924 notes = "maximal general localized wannier orbitals",
5928 author = "P. A. M. Dirac",
5929 title = "The Quantum Theory of the Electron",
5934 doi = "10.1098/rspa.1928.0023",
5935 URL = "http://rspa.royalsocietypublishing.org/content/117/778/610.short",
5936 eprint = "http://rspa.royalsocietypublishing.org/content/117/778/610.full.pdf+html",
5937 journal = "Proceedings of the Royal Society of London. Series A",
5938 notes = "spin orbit origin, relativistic quantum theory",
5941 @Article{kleinman80,
5942 title = "Relativistic norm-conserving pseudopotential",
5943 author = "Leonard Kleinman",
5944 journal = "Phys. Rev. B",
5947 pages = "2630--2631",
5950 doi = "10.1103/PhysRevB.21.2630",
5951 URL = "http://link.aps.org/doi/10.1103/PhysRevB.21.2630",
5952 publisher = "American Physical Society",
5953 notes = "first relativistic pseudopotential",
5956 @Article{bachelet82,
5957 title = "Relativistic norm-conserving pseudopotentials",
5958 author = "Giovanni B. Bachelet and M. Schl{\"u}ter",
5959 journal = "Phys. Rev. B",
5962 pages = "2103--2108",
5965 doi = "10.1103/PhysRevB.25.2103",
5966 URL = "http://link.aps.org/doi/10.1103/PhysRevB.25.2103",
5967 publisher = "American Physical Society",
5970 @Article{hybertsen86,
5971 title = "Spin-orbit splitting in semiconductors and insulators
5972 from the \textit{ab initio} pseudopotential",
5973 author = "Mark S. Hybertsen and Steven G. Louie",
5974 journal = "Phys. Rev. B",
5977 pages = "2920--2922",
5980 doi = "10.1103/PhysRevB.34.2920",
5981 URL = "http://link.aps.org/doi/10.1103/PhysRevB.34.2920",
5982 publisher = "American Physical Society",
5983 notes = "spin orbit pseudopotential formulation",
5987 title = "Relativistic band structure and spin-orbit splitting
5988 of zinc-blende-type semiconductors",
5989 author = "M. Cardona and N. E. Christensen and G. Fasol",
5990 journal = "Phys. Rev. B",
5993 pages = "1806--1827",
5996 doi = "10.1103/PhysRevB.38.1806",
5997 URL = "http://link.aps.org/doi/10.1103/PhysRevB.38.1806",
5998 publisher = "American Physical Society",
5999 notes = "fully relativistic band structures of zinc blende
6003 @Article{hemstreet93,
6004 title = "First-principles calculations of spin-orbit splittings
6005 in solids using nonlocal separable pseudopotentials",
6006 author = "L. A. Hemstreet and C. Y. Fong and J. S. Nelson",
6007 journal = "Phys. Rev. B",
6010 pages = "4238--4243",
6013 doi = "10.1103/PhysRevB.47.4238",
6014 URL = "http://link.aps.org/doi/10.1103/PhysRevB.47.4238",
6015 publisher = "American Physical Society",
6019 title = "Real-space pseudopotential method for spin-orbit
6020 coupling within density functional theory",
6021 author = "Doron Naveh and Leeor Kronik and Murilo L. Tiago and
6022 James R. Chelikowsky",
6023 journal = "Phys. Rev. B",
6030 doi = "10.1103/PhysRevB.76.153407",
6031 URL = "http://link.aps.org/doi/10.1103/PhysRevB.76.153407",
6032 publisher = "American Physical Society",
6033 notes = "real space spin orbit pseudopotential implementation",
6036 @Article{verstraete08,
6037 title = "Density functional perturbation theory with spin-orbit
6038 coupling: Phonon band structure of lead",
6039 author = "Matthieu J. Verstraete and Marc Torrent and
6040 Fran\mbox{\c{c}}ois Jollet and Gilles Z\'erah and
6042 journal = "Phys. Rev. B",
6049 doi = "10.1103/PhysRevB.78.045119",
6050 URL = "http://link.aps.org/doi/10.1103/PhysRevB.78.045119",
6051 publisher = "American Physical Society",
6054 @Article{cuadrado12,
6055 author = "R. Cuadrado and J. I. Cerdá",
6056 title = "Fully relativistic pseudopotential formalism under an
6057 atomic orbital basis: spin-orbit splittings and
6058 magnetic anisotropies",
6059 journal = "Journal of Physics: Condensed Matter",
6063 URL = "http://stacks.iop.org/0953-8984/24/i=8/a=086005",
6068 title = "Parallel Empirical Pseudopotential Electronic
6069 Structure Calculations for Million Atom Systems",
6070 journal = "Journal of Computational Physics",
6077 doi = "http://dx.doi.org/10.1006/jcph.2000.6440",
6078 URL = "http://www.sciencedirect.com/science/article/pii/S0021999100964404",
6079 author = "A. Canning and L. W. Wang and A. Williamson and A.
6083 @Article{oliveira08,
6084 title = "Generating relativistic pseudo-potentials with
6085 explicit incorporation of semi-core states using {APE},
6086 the Atomic Pseudo-potentials Engine",
6087 journal = "Computer Physics Communications",
6094 doi = "http://dx.doi.org/10.1016/j.cpc.2007.11.003",
6095 URL = "http://www.sciencedirect.com/science/article/pii/S0010465507004651",
6096 author = "Micael J. T. Oliveira and Fernando Nogueira",
6097 keywords = "Pseudo-potential",
6098 keywords = "Electronic structure",
6099 keywords = "Density functional",
6102 @Article{fornberg88,
6103 author = "Bengt Fornberg",
6104 title = "Generation of finite difference formulas on
6105 arbitrarily spaced grids",
6106 journal = "Math. Comp.",
6111 doi = "http://dx.doi.org/10.1090/S0025-5718-1988-0935077-",
6112 URL = "http://dx.doi.org/10.1090/S0025-5718-1988-0935077-",
6115 @Article{fornberg94,
6116 author = "Bengt Fornberg and David M. Sloan",
6117 title = "A review of pseudospectral methods for solving partial
6118 differential equations",
6119 journal = "Acta Numerica",
6124 doi = "10.1017/S0962492900002440",
6125 URL = "http://dx.doi.org/10.1017/S0962492900002440",
6128 @Article{urbaszek03,
6129 title = "Fine Structure of Highly Charged Excitons in
6130 Semiconductor Quantum Dots",
6131 author = "B. Urbaszek and R. J. Warburton and K. Karrai and B.
6132 D. Gerardot and P. M. Petroff and J. M. Garcia",
6133 journal = "Phys. Rev. Lett.",
6140 doi = "10.1103/PhysRevLett.90.247403",
6141 URL = "http://link.aps.org/doi/10.1103/PhysRevLett.90.247403",
6142 publisher = "American Physical Society",
6146 title = "Multiexciton Spectroscopy of a Single Self-Assembled
6148 author = "E. Dekel and D. Gershoni and E. Ehrenfreund and D.
6149 Spektor and J. M. Garcia and P. M. Petroff",
6150 journal = "Phys. Rev. Lett.",
6153 pages = "4991--4994",
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6189 journal = "Phys. Rev. Lett.",
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6577 author = "C. Hartwigsen and S. Goedecker and J. Hutter",
6578 journal = "Phys. Rev. B",
6581 pages = "3641--3662",
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7040 title = "The {GW} method",
7041 journal = "Reports on Progress in Physics",
7045 URL = "http://stacks.iop.org/0034-4885/61/i=3/a=002",
7050 title = "Electronic excitations: density-functional versus
7051 many-body Green¿s-function approaches",
7052 author = "Giovanni Onida and Lucia Reining and Angel Rubio",
7053 journal = "Rev. Mod. Phys.",
7060 publisher = "American Physical Society",
7061 doi = "10.1103/RevModPhys.74.601",
7062 URL = "http://link.aps.org/doi/10.1103/RevModPhys.74.601",
7066 title = "Dynamical mean-field theory of strongly correlated
7067 fermion systems and the limit of infinite dimensions",
7068 author = "Antoine Georges and Gabriel Kotliar and Werner Krauth
7069 and Marcelo J. Rozenberg",
7070 journal = "Rev. Mod. Phys.",
7077 publisher = "American Physical Society",
7078 doi = "10.1103/RevModPhys.68.13",
7079 URL = "http://link.aps.org/doi/10.1103/RevModPhys.68.13",
7083 title = "Electronic structure calculations with dynamical
7085 author = "G. Kotliar and S. Y. Savrasov and K. Haule and V. S.
7086 Oudovenko and O. Parcollet and C. A. Marianetti",
7087 journal = "Rev. Mod. Phys.",
7094 publisher = "American Physical Society",
7095 doi = "10.1103/RevModPhys.78.865",
7096 URL = "http://link.aps.org/doi/10.1103/RevModPhys.78.865",