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
1371 title = "{Monte-Carlo-Simulation der Selbstorganisation
1372 amorpher nonometrischer SiC$_x$-Ausscheidungen in
1373 Silizium w{\"a}hrend C$^+$-Ionen-Implantation}",
1374 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1378 note = "AKF-Fr{\"u}hjahrstagung der DPG, Regensburg, 02/2004,
1383 title = "{Kinetik des Selbstorganisationsvorganges bei der
1384 Bildung von SiC$_x$-Ausscheidungs-Arrays in
1385 C$^+$-Ionen-implantierten Silizium}",
1386 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1390 note = "69. Jahrestagung der DPG, Berlin, 02/2005, DS 8.6",
1394 title = "Molecular dynamics simulation study of the silicon
1395 carbide precipitation process",
1396 author = "F. Zirkelbach and J. K. N. Lindner and K. Nordlund and
1400 note = "72. Annual Meeting and DPG-Spring Meeting 2008,
1401 Berlin, 01/2008, DS 42.2",
1405 title = "Monte Carlo simulation study of a selforganization
1406 process leading to ordered precipitate structures",
1407 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1411 note = "IBMM 2006, Taormina (Sicily), 09/2006, M243",
1414 @Article{zirkelbach2007,
1415 title = "Monte Carlo simulation study of a selforganisation
1416 process leading to ordered precipitate structures",
1417 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1419 journal = "Nucl. Instr. and Meth. B",
1426 doi = "doi:10.1016/j.nimb.2006.12.118",
1427 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
1429 abstract = "Periodically arranged, selforganised, nanometric,
1430 amorphous precipitates have been observed after
1431 high-fluence ion implantations into solids for a number
1432 of ion/target combinations at certain implantation
1433 conditions. A model describing the ordering process
1434 based on compressive stress exerted by the amorphous
1435 inclusions as a result of the density change upon
1436 amorphisation is introduced. A Monte Carlo simulation
1437 code, which focuses on high-fluence carbon
1438 implantations into silicon, is able to reproduce
1439 experimentally observed nanolamella distributions as
1440 well as the formation of continuous amorphous layers.
1441 By means of simulation, the selforganisation process
1442 becomes traceable and detailed information about the
1443 compositional and structural state during the ordering
1444 process is obtained. Based on simulation results, a
1445 recipe is proposed for producing broad distributions of
1446 ordered lamellar structures.",
1449 @Article{zirkelbach2006,
1450 title = "Monte-Carlo simulation study of the self-organization
1451 of nanometric amorphous precipitates in regular arrays
1452 during ion irradiation",
1453 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1455 journal = "Nucl. Instr. and Meth. B",
1462 doi = "doi:10.1016/j.nimb.2005.08.162",
1463 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
1465 abstract = "High-dose ion implantation of materials that undergo
1466 drastic density change upon amorphization at certain
1467 implantation conditions results in periodically
1468 arranged, self-organized, nanometric configurations of
1469 the amorphous phase. A simple model explaining the
1470 phenomenon is introduced and implemented in a
1471 Monte-Carlo simulation code. Through simulation
1472 conditions for observing lamellar precipitates are
1473 specified and additional information about the
1474 compositional and structural state during the ordering
1475 process is gained.",
1478 @Article{zirkelbach2005,
1479 title = "Modelling of a selforganization process leading to
1480 periodic arrays of nanometric amorphous precipitates by
1482 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1484 journal = "Comp. Mater. Sci.",
1491 doi = "doi:10.1016/j.commatsci.2004.12.016",
1492 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
1494 abstract = "Ion irradiation of materials, which undergo a drastic
1495 density change upon amorphization have been shown to
1496 exhibit selforganized, nanometric structures of the
1497 amorphous phase in the crystalline host lattice. In
1498 order to better understand the process a
1499 Monte-Carlo-simulation code based on a simple model is
1500 developed. In the present work we focus on high-dose
1501 carbon implantations into silicon. The simulation is
1502 able to reproduce results gained by cross-sectional TEM
1503 measurements of high-dose carbon implanted silicon.
1504 Necessary conditions can be specified for the
1505 self-organization process and information is gained
1506 about the compositional and structural state during the
1507 ordering process which is difficult to be obtained by
1511 @Article{zirkelbach09,
1512 title = "Molecular dynamics simulation of defect formation and
1513 precipitation in heavily carbon doped silicon",
1514 journal = "Mater. Sci. Eng., B",
1519 note = "EMRS 2008 Spring Conference Symposium K: Advanced
1520 Silicon Materials Research for Electronic and
1521 Photovoltaic Applications",
1523 doi = "DOI: 10.1016/j.mseb.2008.10.010",
1524 URL = "http://www.sciencedirect.com/science/article/B6TXF-4TX1547-2/2/cb9f4921f324735087020ccce7843e39",
1525 author = "F. Zirkelbach and J. K. N. Lindner and K. Nordlund and
1527 keywords = "Silicon",
1528 keywords = "Carbon",
1529 keywords = "Silicon carbide",
1530 keywords = "Nucleation",
1531 keywords = "Defect formation",
1532 keywords = "Molecular dynamics simulations",
1533 abstract = "The precipitation process of silicon carbide in
1534 heavily carbon doped silicon is not yet fully
1535 understood. High resolution transmission electron
1536 microscopy observations suggest that in a first step
1537 carbon atoms form C-Si dumbbells on regular Si lattice
1538 sites which agglomerate into large clusters. In a
1539 second step, when the cluster size reaches a radius of
1540 a few nm, the high interfacial energy due to the SiC/Si
1541 lattice misfit of almost 20\% is overcome and the
1542 precipitation occurs. By simulation, details of the
1543 precipitation process can be obtained on the atomic
1544 level. A recently proposed parametrization of a
1545 Tersoff-like bond order potential is used to model the
1546 system appropriately. Preliminary results gained by
1547 molecular dynamics simulations using this potential are
1551 @Article{zirkelbach10,
1552 title = "Defects in carbon implanted silicon calculated by
1553 classical potentials and first-principles methods",
1554 author = "F. Zirkelbach and B. Stritzker and K. Nordlund and J.
1555 K. N. Lindner and W. G. Schmidt and E. Rauls",
1556 journal = "Phys. Rev. B",
1563 doi = "10.1103/PhysRevB.82.094110",
1564 publisher = "American Physical Society",
1565 abstract = "A comparative theoretical investigation of carbon
1566 interstitials in silicon is presented. Calculations
1567 using classical potentials are compared to
1568 first-principles density-functional theory calculations
1569 of the geometries, formation, and activation energies
1570 of the carbon dumbbell interstitial, showing the
1571 importance of a quantum-mechanical description of this
1572 system. In contrast to previous studies, the present
1573 first-principles calculations of the interstitial
1574 carbon migration path yield an activation energy that
1575 excellently matches the experiment. The bond-centered
1576 interstitial configuration shows a net magnetization of
1577 two electrons, illustrating the need for spin-polarized
1581 @Article{zirkelbach11,
1582 journal = "Phys. Rev. B",
1584 URL = "http://link.aps.org/doi/10.1103/PhysRevB.84.064126",
1585 publisher = "American Physical Society",
1586 author = "F. Zirkelbach and B. Stritzker and K. Nordlund and J.
1587 K. N. Lindner and W. G. Schmidt and E. Rauls",
1588 title = "Combined \textit{ab initio} and classical potential
1589 simulation study on silicon carbide precipitation in
1595 doi = "10.1103/PhysRevB.84.064126",
1597 abstract = "Atomistic simulations on the silicon carbide
1598 precipitation in bulk silicon employing both, classical
1599 potential and first-principles methods are presented.
1600 The calculations aim at a comprehensive, microscopic
1601 understanding of the precipitation mechanism in the
1602 context of controversial discussions in the literature.
1603 For the quantum-mechanical treatment, basic processes
1604 assumed in the precipitation process are calculated in
1605 feasible systems of small size. The migration mechanism
1606 of a carbon \hkl<1 0 0> interstitial and silicon \hkl<1
1607 1 0> self-interstitial in otherwise defect-free silicon
1608 are investigated using density functional theory
1609 calculations. The influence of a nearby vacancy,
1610 another carbon interstitial and a substitutional defect
1611 as well as a silicon self-interstitial has been
1612 investigated systematically. Interactions of various
1613 combinations of defects have been characterized
1614 including a couple of selected migration pathways
1615 within these configurations. Almost all of the
1616 investigated pairs of defects tend to agglomerate
1617 allowing for a reduction in strain. The formation of
1618 structures involving strong carbon-carbon bonds turns
1619 out to be very unlikely. In contrast, substitutional
1620 carbon occurs in all probability. A long range capture
1621 radius has been observed for pairs of interstitial
1622 carbon as well as interstitial carbon and vacancies. A
1623 rather small capture radius is predicted for
1624 substitutional carbon and silicon self-interstitials.
1625 Initial assumptions regarding the precipitation
1626 mechanism of silicon carbide in bulk silicon are
1627 established and conformability to experimental findings
1628 is discussed. Furthermore, results of the accurate
1629 first-principles calculations on defects and carbon
1630 diffusion in silicon are compared to results of
1631 classical potential simulations revealing significant
1632 limitations of the latter method. An approach to work
1633 around this problem is proposed. Finally, results of
1634 the classical potential molecular dynamics simulations
1635 of large systems are examined, which reinforce previous
1636 assumptions and give further insight into basic
1637 processes involved in the silicon carbide transition.",
1640 @Article{zirkelbach12,
1641 author = "F. Zirkelbach and B. Stritzker and K. Nordlund and W.
1642 G. Schmidt and E. Rauls and J. K. N. Lindner",
1643 title = "First-principles and empirical potential simulation
1644 study of intrinsic and carbon-related defects in
1646 journal = "phys. status solidi (c)",
1649 publisher = "WILEY-VCH Verlag",
1651 URL = "http://dx.doi.org/10.1002/pssc.201200198",
1652 doi = "10.1002/pssc.201200198",
1653 pages = "1968--1973",
1654 keywords = "silicon, carbon, silicon carbide, defect formation,
1655 defect migration, density functional theory, empirical
1656 potential, molecular dynamics",
1658 abstract = "Results of atomistic simulations aimed at
1659 understanding precipitation of the highly attractive
1660 wide band gap semiconductor material silicon carbide in
1661 silicon are presented. The study involves a systematic
1662 investigation of intrinsic and carbon-related defects
1663 as well as defect combinations and defect migration by
1664 both, quantummechanical first-principles as well as
1665 empirical potential methods. Comparing formation and
1666 activation energies, ground-state structures of defects
1667 and defect combinations as well as energetically
1668 favorable agglomeration of defects are predicted.
1669 Moreover, accurate ab initio calculations unveil
1670 limitations of the analytical method based on a
1671 Tersoff-like bond order potential. A work-around is
1672 proposed in order to subsequently apply the highly
1673 efficient technique on large structures not accessible
1674 by first-principles methods. The outcome of both types
1675 of simulation provides a basic microscopic
1676 understanding of defect formation and structural
1677 evolution particularly at non-equilibrium conditions
1678 strongly deviated from the ground state as commonly
1679 found in SiC growth processes. A possible precipitation
1680 mechanism, which conforms well to experimental findings
1681 and clarifies contradictory views present in the
1682 literature is outlined (© 2012 WILEY-VCH Verlag GmbH \&
1683 Co. KGaA, Weinheim)",
1686 @Article{zirkelbach15,
1687 title = "Large-scale atomic effective pseudopotential program
1688 including an efficient spin-orbit coupling treatment in
1690 author = "F. Zirkelbach and P.-Y. Prodhomme and Peng Han and R.
1691 Cherian and G. Bester",
1692 journal = "Phys. Rev. B",
1699 publisher = "American Physical Society",
1700 doi = "10.1103/PhysRevB.91.075119",
1701 URL = "http://link.aps.org/doi/10.1103/PhysRevB.91.075119",
1702 abstract = "Within the scheme of the {\em Large-scale Atomic
1703 Effective Pseudopotential Program}, the Schr{\"o}dinger
1704 equation of an electronic system is solved within an
1705 effective single-particle approach. Although not
1706 limited to, it focuses on the recently introduced
1707 atomic effective pseudopotentials derived from screened
1708 local effective crystal potentials as obtained from
1709 self-consistent density functional theory calculations.
1710 Plane waves are used to expand the wavefunctions. The
1711 problem can be solved in both, real and reciprocal
1712 space. Using atomic effective pseudopotentials, a
1713 self-consistency cycle is not required, which
1714 drastically reduces the computational effort.
1715 Furthermore, without having to find a self-consistent
1716 solution, which would require the determination of all
1717 eigenstates, iterative solvers can be used to focus
1718 only on a few eigenstates in the vicinity of a
1719 reference energy, e.g.\ around the band gap of a
1720 semiconductor. Hence, this approach is particularly
1721 well suited for theoretical investigations of the
1722 electronic structure of semiconductor nanostructures
1723 consisting of up to several thousands of atoms.
1724 Moreover, a novel and efficient real space treatment of
1725 spin-orbit coupling within the pseudopotential
1726 framework is proposed in this work allowing for a fully
1727 relativistic description.",
1731 author = "J. K. N. Lindner and A. Frohnwieser and B.
1732 Rauschenbach and B. Stritzker",
1733 title = "ke{V}- and Me{V}- Ion Beam Synthesis of Buried Si{C}
1735 journal = "MRS Proc.",
1740 doi = "10.1557/PROC-354-171",
1741 URL = "http://dx.doi.org/10.1557/PROC-354-171",
1742 notes = "first time ibs at moderate temperatures",
1746 title = "Formation of buried epitaxial silicon carbide layers
1747 in silicon by ion beam synthesis",
1748 journal = "Mater. Chem. Phys.",
1755 doi = "DOI: 10.1016/S0254-0584(97)80008-9",
1756 URL = "http://www.sciencedirect.com/science/article/B6TX4-3VSGY9S-8/2/f001f23c0b3bc0fc3fc683616588fbc7",
1757 author = "J. K. N. Lindner and K. Volz and U. Preckwinkel and B.
1758 Götz and A. Frohnwieser and B. Rauschenbach and B.
1760 notes = "dose window",
1763 @Article{calcagno96,
1764 title = "Carbon clustering in Si[sub 1-x]{C}[sub x] formed by
1766 journal = "Nucl. Instrum. Methods Phys. Res. B",
1771 note = "Proceedings of the E-MRS '96 Spring Meeting Symp. I on
1772 New Trends in Ion Beam Processing of Materials",
1774 doi = "DOI: 10.1016/S0168-583X(96)00492-2",
1775 URL = "http://www.sciencedirect.com/science/article/B6TJN-3VSHB0W-1S/2/164b9f4f972a02f44b341b0de28bba1d",
1776 author = "L. Calcagno and G. Compagnini and G. Foti and M. G.
1777 Grimaldi and P. Musumeci",
1778 notes = "dose window, graphitic bonds",
1782 title = "Mechanisms of Si{C} Formation in the Ion Beam
1783 Synthesis of 3{C}-Si{C} Layers in Silicon",
1784 journal = "Mater. Sci. Forum",
1789 doi = "10.4028/www.scientific.net/MSF.264-268.215",
1790 URL = "http://www.scientific.net/MSF.264-268.215",
1791 author = "J. K. N. Lindner and W. Reiber and B. Stritzker",
1792 notes = "intermediate temperature for sharp interface + good
1797 title = "Controlling the density distribution of Si{C}
1798 nanocrystals for the ion beam synthesis of buried Si{C}
1800 journal = "Nucl. Instrum. Methods Phys. Res. B",
1807 doi = "DOI: 10.1016/S0168-583X(98)00598-9",
1808 URL = "http://www.sciencedirect.com/science/article/B6TJN-3YMWWDY-1H/2/ad53e614f783b2a7474aecb936dd0169",
1809 author = "J. K. N. Lindner and B. Stritzker",
1810 notes = "two-step implantation process",
1813 @Article{lindner99_2,
1814 title = "Mechanisms in the ion beam synthesis of Si{C} layers
1816 journal = "Nucl. Instrum. Methods Phys. Res. B",
1822 doi = "DOI: 10.1016/S0168-583X(98)00787-3",
1823 URL = "http://www.sciencedirect.com/science/article/B6TJN-3XGFSSH-3H/2/17d138baa6db68cb279e6de9161e5f85",
1824 author = "J. K. N. Lindner and B. Stritzker",
1825 notes = "3c-sic precipitation model, c-si dimers (dumbbells)",
1829 title = "Ion beam synthesis of buried Si{C} layers in silicon:
1830 Basic physical processes",
1831 journal = "Nucl. Instrum. Methods Phys. Res. B",
1838 doi = "DOI: 10.1016/S0168-583X(01)00504-3",
1839 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KG96-8/2/f222574d8945c3fd7aaf9ae1efdd37b3",
1840 author = "J{\"{o}}rg K. N. Lindner",
1844 title = "High-dose carbon implantations into silicon:
1845 fundamental studies for new technological tricks",
1846 author = "J. K. N. Lindner",
1847 journal = "Appl. Phys. A",
1851 doi = "10.1007/s00339-002-2062-8",
1852 notes = "ibs, burried sic layers",
1856 title = "On the balance between ion beam induced nanoparticle
1857 formation and displacive precipitate resolution in the
1859 journal = "Mater. Sci. Eng., C",
1864 note = "Current Trends in Nanoscience - from Materials to
1867 doi = "DOI: 10.1016/j.msec.2005.09.099",
1868 URL = "http://www.sciencedirect.com/science/article/B6TXG-4HSXVVM-1/2/5b0e351198cc2e8f5f4446a80a73d04a",
1869 author = "J. K. N. Lindner and M. H{\"a}berlen and G. Thorwarth
1871 notes = "c int diffusion barrier",
1874 @Article{haeberlen10,
1875 title = "Structural characterization of cubic and hexagonal
1876 Ga{N} thin films grown by {IBA}-{MBE} on Si{C}/Si",
1877 journal = "Journal of Crystal Growth",
1884 doi = "10.1016/j.jcrysgro.2009.12.048",
1885 URL = "http://www.sciencedirect.com/science/article/pii/S0022024809011452",
1886 author = "M. H{\"a}berlen and J. W. Gerlach and B. Murphy and J.
1887 K. N. Lindner and B. Stritzker",
1891 title = "Ion beam synthesis of 3{C}-Si{C} layers in Si and its
1892 application in buffer layer for Ga{N} epitaxial
1894 journal = "Appl. Surf. Sci.",
1899 note = "APHYS'03 Special Issue",
1901 doi = "DOI: 10.1016/j.apsusc.2004.05.199",
1902 URL = "http://www.sciencedirect.com/science/article/B6THY-4CTTNGX-B/2/d24ee637db87f3f1a6ef7fe6820f267c",
1903 author = "Y. Ito and T. Yamauchi and A. Yamamoto and M. Sasase
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1905 notes = "gan on 3c-sic, focus on ibs of 3c-sic",
1908 @Article{yamamoto04,
1909 title = "Organometallic vapor phase epitaxial growth of Ga{N}
1910 on a 3c-Si{C}/Si(1 1 1) template formed by {C}+-ion
1911 implantation into Si(1 1 1) substrate",
1912 journal = "J. Cryst. Growth",
1917 note = "Proceedings of the 11th Biennial (US) Workshop on
1918 Organometallic Vapor Phase Epitaxy (OMVPE)",
1920 doi = "DOI: 10.1016/j.jcrysgro.2003.11.041",
1921 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4B5BFSX-2/2/55e79e024f2a23b487d19c6fd8dbf166",
1922 author = "A. Yamamoto and T. Yamauchi and T. Tanikawa and M.
1923 Sasase and B. K. Ghosh and A. Hashimoto and Y. Ito",
1924 notes = "gan on 3c-sic",
1928 title = "Substrates for gallium nitride epitaxy",
1929 journal = "Mater. Sci. Eng., R",
1936 doi = "DOI: 10.1016/S0927-796X(02)00008-6",
1937 URL = "http://www.sciencedirect.com/science/article/B6TXH-45DFBSV-2/2/38c47e77fa91f23f8649a044e7135401",
1938 author = "L. Liu and J. H. Edgar",
1939 notes = "gan substrates",
1942 @Article{takeuchi91,
1943 title = "Growth of single crystalline Ga{N} film on Si
1944 substrate using 3{C}-Si{C} as an intermediate layer",
1945 journal = "J. Cryst. Growth",
1952 doi = "DOI: 10.1016/0022-0248(91)90817-O",
1953 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46FJ525-TY/2/7bb50016a50b1dd1dbc36b43c46b3140",
1954 author = "Tetsuya Takeuchi and Hiroshi Amano and Kazumasa
1955 Hiramatsu and Nobuhiko Sawaki and Isamu Akasaki",
1956 notes = "gan on 3c-sic (first time?)",
1960 author = "B. J. Alder and T. E. Wainwright",
1961 title = "Phase Transition for a Hard Sphere System",
1964 journal = "J. Chem. Phys.",
1967 pages = "1208--1209",
1968 URL = "http://link.aip.org/link/?JCP/27/1208/1",
1969 doi = "10.1063/1.1743957",
1973 author = "B. J. Alder and T. E. Wainwright",
1974 title = "Studies in Molecular Dynamics. {I}. General Method",
1977 journal = "J. Chem. Phys.",
1981 URL = "http://link.aip.org/link/?JCP/31/459/1",
1982 doi = "10.1063/1.1730376",
1985 @Article{horsfield96,
1986 title = "Bond-order potentials: Theory and implementation",
1987 author = "A. P. Horsfield and A. M. Bratkovsky and M. Fearn and
1988 D. G. Pettifor and M. Aoki",
1989 journal = "Phys. Rev. B",
1992 pages = "12694--12712",
1996 doi = "10.1103/PhysRevB.53.12694",
1997 publisher = "American Physical Society",
2001 title = "Empirical chemical pseudopotential theory of molecular
2002 and metallic bonding",
2003 author = "G. C. Abell",
2004 journal = "Phys. Rev. B",
2007 pages = "6184--6196",
2011 doi = "10.1103/PhysRevB.31.6184",
2012 publisher = "American Physical Society",
2015 @Article{tersoff_si1,
2016 title = "New empirical model for the structural properties of
2018 author = "J. Tersoff",
2019 journal = "Phys. Rev. Lett.",
2026 doi = "10.1103/PhysRevLett.56.632",
2027 publisher = "American Physical Society",
2031 title = "Development of a many-body Tersoff-type potential for
2033 author = "Brian W. Dodson",
2034 journal = "Phys. Rev. B",
2037 pages = "2795--2798",
2041 doi = "10.1103/PhysRevB.35.2795",
2042 publisher = "American Physical Society",
2045 @Article{tersoff_si2,
2046 title = "New empirical approach for the structure and energy of
2048 author = "J. Tersoff",
2049 journal = "Phys. Rev. B",
2052 pages = "6991--7000",
2056 doi = "10.1103/PhysRevB.37.6991",
2057 publisher = "American Physical Society",
2060 @Article{tersoff_si3,
2061 title = "Empirical interatomic potential for silicon with
2062 improved elastic properties",
2063 author = "J. Tersoff",
2064 journal = "Phys. Rev. B",
2067 pages = "9902--9905",
2071 doi = "10.1103/PhysRevB.38.9902",
2072 publisher = "American Physical Society",
2076 title = "Empirical Interatomic Potential for Carbon, with
2077 Applications to Amorphous Carbon",
2078 author = "J. Tersoff",
2079 journal = "Phys. Rev. Lett.",
2082 pages = "2879--2882",
2086 doi = "10.1103/PhysRevLett.61.2879",
2087 publisher = "American Physical Society",
2091 title = "Modeling solid-state chemistry: Interatomic potentials
2092 for multicomponent systems",
2093 author = "J. Tersoff",
2094 journal = "Phys. Rev. B",
2097 pages = "5566--5568",
2101 doi = "10.1103/PhysRevB.39.5566",
2102 publisher = "American Physical Society",
2106 title = "Carbon defects and defect reactions in silicon",
2107 author = "J. Tersoff",
2108 journal = "Phys. Rev. Lett.",
2111 pages = "1757--1760",
2115 doi = "10.1103/PhysRevLett.64.1757",
2116 publisher = "American Physical Society",
2120 title = "Point defects and dopant diffusion in silicon",
2121 author = "P. M. Fahey and P. B. Griffin and J. D. Plummer",
2122 journal = "Rev. Mod. Phys.",
2129 doi = "10.1103/RevModPhys.61.289",
2130 publisher = "American Physical Society",
2134 title = "Silicon carbide: synthesis and processing",
2135 journal = "Nucl. Instrum. Methods Phys. Res. B",
2140 note = "Radiation Effects in Insulators",
2142 doi = "DOI: 10.1016/0168-583X(96)00065-1",
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2149 Palmour and J. A. Edmond",
2150 journal = "Proc. IEEE",
2151 title = "Thin film deposition and microelectronic and
2152 optoelectronic device fabrication and characterization
2153 in monocrystalline alpha and beta silicon carbide",
2159 keywords = "HBT;LED;MESFET;MOSFET;Schottky contacts;Schottky
2160 diode;SiC;dry etching;electrical
2161 contacts;etching;impurity incorporation;optoelectronic
2162 device fabrication;solid-state devices;surface
2163 chemistry;Schottky effect;Schottky gate field effect
2164 transistors;Schottky-barrier
2165 diodes;etching;heterojunction bipolar
2166 transistors;insulated gate field effect
2167 transistors;light emitting diodes;semiconductor
2168 materials;semiconductor thin films;silicon compounds;",
2169 doi = "10.1109/5.90132",
2171 notes = "sic growth methods",
2175 author = "H. Morko\c{c} and S. Strite and G. B. Gao and M. E.
2176 Lin and B. Sverdlov and M. Burns",
2178 title = "Large-band-gap Si{C}, {III}-{V} nitride, and {II}-{VI}
2179 ZnSe-based semiconductor device technologies",
2182 journal = "J. Appl. Phys.",
2185 pages = "1363--1398",
2186 keywords = "SEMICONDUCTOR DEVICES; SILICON CARBIDES; GALLIUM
2187 NITRIDES; ZINC SELENIDES; SUBSTRATES; MOS JUNCTIONS;
2188 LASER MATERIALS; MATERIALS; REVIEWS; ENERGY GAP; THIN
2190 URL = "http://link.aip.org/link/?JAP/76/1363/1",
2191 doi = "10.1063/1.358463",
2192 notes = "sic intro, properties",
2196 author = "Noch Unbekannt",
2197 title = "How to find references",
2198 journal = "Journal of Applied References",
2205 title = "Atomistic simulation of thermomechanical properties of
2207 author = "Meijie Tang and Sidney Yip",
2208 journal = "Phys. Rev. B",
2211 pages = "15150--15159",
2214 doi = "10.1103/PhysRevB.52.15150",
2215 notes = "modified tersoff, scale cutoff with volume, promising
2216 tersoff reparametrization",
2217 publisher = "American Physical Society",
2221 title = "Silicon carbide as a new {MEMS} technology",
2222 journal = "Seonsor. Actuator. A",
2228 doi = "DOI: 10.1016/S0924-4247(99)00335-0",
2229 URL = "http://www.sciencedirect.com/science/article/B6THG-406VM55-13/2/75385a587669b215d9ef88029a93fd59",
2230 author = "Pasqualina M. Sarro",
2232 keywords = "Silicon carbide",
2233 keywords = "Micromachining",
2234 keywords = "Mechanical stress",
2238 title = "Status of silicon carbide (Si{C}) as a wide-bandgap
2239 semiconductor for high-temperature applications: {A}
2241 journal = "Solid-State Electron.",
2244 pages = "1409--1422",
2247 doi = "DOI: 10.1016/0038-1101(96)00045-7",
2248 URL = "http://www.sciencedirect.com/science/article/B6TY5-3VSR9J0-1/2/a871c11636e937dc45bfdf48e29f725b",
2249 author = "J. B. Casady and R. W. Johnson",
2250 notes = "sic intro",
2253 @Article{giancarli98,
2254 title = "Design requirements for Si{C}/Si{C} composites
2255 structural material in fusion power reactor blankets",
2256 journal = "Fusion Eng. Des.",
2262 doi = "DOI: 10.1016/S0920-3796(97)00200-7",
2263 URL = "http://www.sciencedirect.com/science/article/B6V3C-3V8RYK8-T/2/16949194114900fd1330f79892d7a7be",
2264 author = "L. Giancarli and J. P. Bonal and A. Caso and G. Le
2265 Marois and N. B. Morley and J. F. Salavy",
2269 title = "Electrical and optical characterization of Si{C}",
2270 journal = "Physica B",
2276 doi = "DOI: 10.1016/0921-4526(93)90249-6",
2277 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8HRX-99/2/eab9398bf2bbf10df3ae42c2ab28a776",
2278 author = "G. Pensl and W. J. Choyke",
2282 title = "Investigation of growth processes of ingots of silicon
2283 carbide single crystals",
2284 journal = "J. Cryst. Growth",
2289 notes = "modified lely process",
2291 doi = "DOI: 10.1016/0022-0248(78)90169-0",
2292 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BY2NR-7S/2/fa6fee78ebd8322491f6366e72d5b6dc",
2293 author = "Yu. M. Tairov and V. F. Tsvetkov",
2297 title = "General principles of growing large-size single
2298 crystals of various silicon carbide polytypes",
2299 journal = "J. Cryst. Growth",
2306 doi = "DOI: 10.1016/0022-0248(81)90184-6",
2307 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46FVMF6-2Y/2/b7c4025f0ef07ceec37fbd596819d529",
2308 author = "Yu.M. Tairov and V. F. Tsvetkov",
2312 title = "Si{C} boule growth by sublimation vapor transport",
2313 journal = "J. Cryst. Growth",
2320 doi = "DOI: 10.1016/0022-0248(91)90152-U",
2321 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46FJ4VX-KF/2/fb802a6d67a8074a672007e972b264e1",
2322 author = "D. L. Barrett and R. G. Seidensticker and W. Gaida and
2323 R. H. Hopkins and W. J. Choyke",
2327 title = "Growth of large Si{C} single crystals",
2328 journal = "J. Cryst. Growth",
2335 doi = "DOI: 10.1016/0022-0248(93)90348-Z",
2336 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46YKSGB-4D/2/bc26617f48735a9ffbf5c61a5e164d9c",
2337 author = "D. L. Barrett and J. P. McHugh and H. M. Hobgood and
2338 R. H. Hopkins and P. G. McMullin and R. C. Clarke and
2343 title = "Control of polytype formation by surface energy
2344 effects during the growth of Si{C} monocrystals by the
2345 sublimation method",
2346 journal = "J. Cryst. Growth",
2353 doi = "DOI: 10.1016/0022-0248(93)90397-F",
2354 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46FX1XJ-1X/2/493b180c29103dba5dba351e0fae5b9d",
2355 author = "R. A. Stein and P. Lanig",
2356 notes = "6h and 4h, sublimation technique",
2360 author = "Shigehiro Nishino and J. Anthony Powell and Herbert A.
2363 title = "Production of large-area single-crystal wafers of
2364 cubic Si{C} for semiconductor devices",
2367 journal = "Appl. Phys. Lett.",
2371 keywords = "silicon carbides; layers; chemical vapor deposition;
2373 URL = "http://link.aip.org/link/?APL/42/460/1",
2374 doi = "10.1063/1.93970",
2375 notes = "cvd of 3c-sic on si, sic buffer layer",
2378 @Article{nagasawa06,
2379 author = "H. Nagasawa and K. Yagi and T. Kawahara and N. Hatta",
2380 title = "Reducing Planar Defects in 3{C}¿Si{C}",
2381 journal = "Chemical Vapor Deposition",
2384 publisher = "WILEY-VCH Verlag",
2386 URL = "http://dx.doi.org/10.1002/cvde.200506466",
2387 doi = "10.1002/cvde.200506466",
2389 keywords = "Defect structures, Epitaxy, Silicon carbide",
2391 notes = "cvd on si",
2395 author = "Shigehiro Nishino and Hajime Suhara and Hideyuki Ono
2396 and Hiroyuki Matsunami",
2398 title = "Epitaxial growth and electric characteristics of cubic
2402 journal = "J. Appl. Phys.",
2405 pages = "4889--4893",
2406 URL = "http://link.aip.org/link/?JAP/61/4889/1",
2407 doi = "10.1063/1.338355",
2408 notes = "cvd of 3c-sic on si, sic buffer layer, first time
2413 author = "J. Anthony Powell and Lawrence G. Matus and Maria A.
2415 title = "Growth and Characterization of Cubic Si{C}
2416 Single-Crystal Films on Si",
2419 journal = "J. Electrochem. Soc.",
2422 pages = "1558--1565",
2423 keywords = "semiconductor materials; silicon compounds; carbon
2424 compounds; crystal morphology; electron mobility",
2425 URL = "http://link.aip.org/link/?JES/134/1558/1",
2426 doi = "10.1149/1.2100708",
2427 notes = "blue light emitting diodes (led)",
2430 @Article{powell87_2,
2431 author = "J. A. Powell and L. G. Matus and M. A. Kuczmarski and
2432 C. M. Chorey and T. T. Cheng and P. Pirouz",
2434 title = "Improved beta-Si{C} heteroepitaxial films using
2435 off-axis Si substrates",
2438 journal = "Appl. Phys. Lett.",
2442 keywords = "VAPOR PHASE EPITAXY; SILICON CARBIDES; VAPOR DEPOSITED
2443 COATINGS; SILICON; EPITAXIAL LAYERS; INTERFACE
2444 STRUCTURE; SURFACE STRUCTURE; FILM GROWTH; STACKING
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2447 URL = "http://link.aip.org/link/?APL/51/823/1",
2448 doi = "10.1063/1.98824",
2449 notes = "improved sic on off-axis si substrates, reduced apbs",
2453 title = "Crystal growth of Si{C} by step-controlled epitaxy",
2454 journal = "J. Cryst. Growth",
2461 doi = "DOI: 10.1016/0022-0248(90)90013-B",
2462 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46CC6CX-KN/2/d5184c7bd29063985f7d1dd4112b12c9",
2463 author = "Tetsuzo Ueda and Hironori Nishino and Hiroyuki
2465 notes = "step-controlled epitaxy model",
2469 author = "Tsunenobu Kimoto and Hironori Nishino and Woo Sik Yoo
2470 and Hiroyuki Matsunami",
2471 title = "Growth mechanism of 6{H}-Si{C} in step-controlled
2475 journal = "J. Appl. Phys.",
2479 keywords = "SILICON CARBIDES; EPITAXY; GROWTH RATE; TEMPERATURE
2480 RANGE 10004000 K; TWINNING; ACTIVATION ENERGY; CHEMICAL
2482 URL = "http://link.aip.org/link/?JAP/73/726/1",
2483 doi = "10.1063/1.353329",
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2489 J. Choyke and J. L. Bradshaw and L. Henderson and M.
2490 Yoganathan and J. Yang and P. Pirouz",
2492 title = "Growth of high quality 6{H}-Si{C} epitaxial films on
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2496 journal = "Appl. Phys. Lett.",
2499 pages = "1442--1444",
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2512 title = "Chemical vapor deposition and characterization of
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2532 J. Choyke and J. L. Bradshaw and L. Henderson and M.
2533 Yoganathan and J. Yang and P. Pirouz",
2535 title = "Growth of improved quality 3{C}-Si{C} films on
2536 6{H}-Si{C} substrates",
2539 journal = "Appl. Phys. Lett.",
2542 pages = "1353--1355",
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2545 MICROSCOPY; DEFECT STRUCTURE; STACKING FAULTS; VAPOR
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2548 doi = "10.1063/1.102512",
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2553 author = "H. S. Kong and B. L. Jiang and J. T. Glass and G. A.
2554 Rozgonyi and K. L. More",
2556 title = "An examination of double positioning boundaries and
2557 interface misfit in beta-Si{C} films on alpha-Si{C}
2561 journal = "J. Appl. Phys.",
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2576 Jenkins and L. G. Matus and J. W. Yang and P. Pirouz
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2579 title = "Controlled growth of 3{C}-Si{C} and 6{H}-Si{C} films
2580 on low-tilt-angle vicinal (0001) 6{H}-Si{C} wafers",
2583 journal = "Appl. Phys. Lett.",
2587 keywords = "SILICON CARBIDES; SURFACE TREATMENTS; SORPTIVE
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2595 author = "C. Yuan and A. J. Steckl and J. Chaudhuri and R.
2596 Thokala and M. J. Loboda",
2598 title = "Reduced temperature growth of crystalline 3{C}-Si{C}
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2603 journal = "J. Appl. Phys.",
2606 pages = "1271--1273",
2607 keywords = "SILICON CARBIDES; THIN FILMS; CVD; EPITAXY; ABSORPTION
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2612 notes = "3c-sic on 6h-sic, cvd, reduced temperature",
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2618 journal = "J. Cryst. Growth",
2625 doi = "DOI: 10.1016/0022-0248(87)90449-0",
2626 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46X9W77-3F/2/864b2d86faa794252e1d1f16c99a9cf1",
2627 author = "Shigeo Kaneda and Yoshiki Sakamoto and Tadashi Mihara
2629 notes = "first time ssmbe of 3c-sic on 6h-sic",
2633 title = "Epitaxial growth of Si{C} thin films on Si-stabilized
2634 [alpha]-Si{C}(0001) at low temperatures by solid-source
2635 molecular beam epitaxy",
2636 journal = "J. Cryst. Growth",
2642 doi = "DOI: 10.1016/0022-0248(95)00170-0",
2643 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3Y5MMXM-1N/2/65549019b878bf02d5ec645b7eea9e98",
2644 author = "A. Fissel and U. Kaiser and E. Ducke and B.
2645 Schr{\"{o}}ter and W. Richter",
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2652 title = "Low-temperature growth of Si{C} thin films on Si and
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2656 journal = "Appl. Phys. Lett.",
2659 pages = "3182--3184",
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2663 doi = "10.1063/1.113716",
2664 notes = "mbe 3c-sic on si and 6h-sic",
2668 author = "Andreas Fissel and Ute Kaiser and Kay Pfennighaus and
2669 Bernd Schr{\"{o}}ter and Wolfgang Richter",
2671 title = "Growth of 6{H}--Si{C} on 6{H}--Si{C}(0001) by
2672 migration enhanced epitaxy controlled to an atomic
2673 level using surface superstructures",
2676 journal = "Appl. Phys. Lett.",
2679 pages = "1204--1206",
2680 keywords = "MICROSTRUCTURE; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
2681 NUCLEATION; SILICON CARBIDES; SURFACE RECONSTRUCTION;
2683 URL = "http://link.aip.org/link/?APL/68/1204/1",
2684 doi = "10.1063/1.115969",
2685 notes = "ss mbe sic, superstructure, reconstruction",
2689 title = "Ab initio Simulations of Homoepitaxial Si{C} Growth",
2690 author = "M. C. Righi and C. A. Pignedoli and R. Di Felice and
2691 C. M. Bertoni and A. Catellani",
2692 journal = "Phys. Rev. Lett.",
2699 doi = "10.1103/PhysRevLett.91.136101",
2700 publisher = "American Physical Society",
2701 notes = "dft calculations mbe sic growth",
2705 author = "J. A. Borders and S. T. Picraux and W. Beezhold",
2707 title = "{FORMATION} {OF} Si{C} {IN} {SILICON} {BY} {ION}
2711 journal = "Appl. Phys. Lett.",
2715 URL = "http://link.aip.org/link/?APL/18/509/1",
2716 doi = "10.1063/1.1653516",
2717 notes = "first time sic by ibs, follow cites for precipitation
2722 author = "F. L. Edelman and O. N. Kuznetsov and L. V. Lezheiko
2723 and E. V. Lubopytova",
2724 title = "Formation of Si{C} and Si[sub 3]{N}[sub 4] in silicon
2725 by ion implantation",
2726 publisher = "Taylor \& Francis",
2728 journal = "Radiat. Eff.",
2732 URL = "http://www.informaworld.com/10.1080/00337577608233477",
2733 notes = "3c-sic for different temperatures, amorphous, poly,
2734 single crystalline",
2737 @Article{akimchenko80,
2738 author = "I. P. Akimchenko and K. V. Kisseleva and V. V.
2739 Krasnopevtsev and A. G. Touryanski and V. S. Vavilov",
2740 title = "Structure and optical properties of silicon implanted
2741 by high doses of 70 and 310 ke{V} carbon ions",
2742 publisher = "Taylor \& Francis",
2744 journal = "Radiat. Eff.",
2748 URL = "http://www.informaworld.com/10.1080/00337578008209220",
2749 notes = "3c-sic nucleation by thermal spikes",
2753 title = "Structure and annealing properties of silicon carbide
2754 thin layers formed by implantation of carbon ions in
2756 journal = "Thin Solid Films",
2763 doi = "DOI: 10.1016/0040-6090(81)90516-2",
2764 URL = "http://www.sciencedirect.com/science/article/B6TW0-46T3DRB-NS/2/831f8ddd769a5d64cd493b89a9b0cf80",
2765 author = "Tadamasa Kimura and Shigeru Kagiyama and Shigemi
2770 title = "Characteristics of the synthesis of [beta]-Si{C} by
2771 the implantation of carbon ions into silicon",
2772 journal = "Thin Solid Films",
2779 doi = "DOI: 10.1016/0040-6090(82)90295-4",
2780 URL = "http://www.sciencedirect.com/science/article/B6TW0-46PB24G-11C/2/6bc025812640087a987ae09c38faaecd",
2781 author = "Tadamasa Kimura and Shigeru Kagiyama and Shigemi
2786 author = "K. J. Reeson and P. L. F. Hemment and R. F. Peart and
2787 C. D. Meekison and C. Marsh and G. R. Booker and R. J.
2788 Chater and J. A. Iulner and J. Davis",
2789 title = "Formation mechanisms and structures of insulating
2790 compounds formed in silicon by ion beam synthesis",
2791 publisher = "Taylor \& Francis",
2793 journal = "Radiat. Eff.",
2797 URL = "http://www.informaworld.com/10.1080/00337578608209614",
2798 notes = "ibs, comparison with sio and sin, higher temp or time,
2799 no c redistribution",
2803 author = "K. J. Reeson and P. L. F. Hemment and J. Stoemenos and
2804 J. Davis and G. E. Celler",
2806 title = "Formation of buried layers of beta-Si{C} using ion
2807 beam synthesis and incoherent lamp annealing",
2810 journal = "Appl. Phys. Lett.",
2813 pages = "2242--2244",
2814 keywords = "SILICON CARBIDES; FILM GROWTH; SOLIDPHASE EPITAXY; ION
2815 IMPLANTATION; CARBON IONS; DOPING PROFILES; SYNTHESIS",
2816 URL = "http://link.aip.org/link/?APL/51/2242/1",
2817 doi = "10.1063/1.98953",
2818 notes = "nice tem images, sic by ibs",
2822 author = "P. Martin and B. Daudin and M. Dupuy and A. Ermolieff
2823 and M. Olivier and A. M. Papon and G. Rolland",
2825 title = "High-temperature ion beam synthesis of cubic Si{C}",
2828 journal = "J. Appl. Phys.",
2831 pages = "2908--2912",
2832 keywords = "SILICON CARBIDES; SYNTHESIS; CUBIC LATTICES; ION
2833 IMPLANTATION; SILICON; SUBSTRATES; CARBON IONS;
2834 TRANSMISSION ELECTRON MICROSCOPY; XRAY DIFFRACTION;
2835 INFRARED SPECTRA; ABSORPTION SPECTROSCOPY; AUGER
2836 ELECTRON SPECTROSCOPY; RBS; CHANNELING; NUCLEAR
2837 REACTIONS; MONOCRYSTALS",
2838 URL = "http://link.aip.org/link/?JAP/67/2908/1",
2839 doi = "10.1063/1.346092",
2840 notes = "triple energy implantation to overcome high annealing
2845 author = "R. I. Scace and G. A. Slack",
2847 title = "Solubility of Carbon in Silicon and Germanium",
2850 journal = "J. Chem. Phys.",
2853 pages = "1551--1555",
2854 URL = "http://link.aip.org/link/?JCP/30/1551/1",
2855 doi = "10.1063/1.1730236",
2856 notes = "solubility of c in c-si, si-c phase diagram",
2860 author = "W. Hofker and H. Werner and D. Oosthoek and N.
2862 affiliation = "N. V. Philips' Gloeilampenfabrieken Philips Research
2863 Laboratories Eindhoven Netherlands Eindhoven
2865 title = "Boron implantations in silicon: {A} comparison of
2866 charge carrier and boron concentration profiles",
2867 journal = "Appl. Phys. A",
2868 publisher = "Springer Berlin / Heidelberg",
2870 keyword = "Physics and Astronomy",
2874 URL = "http://dx.doi.org/10.1007/BF00884267",
2875 note = "10.1007/BF00884267",
2877 notes = "first time ted (only for boron?)",
2881 author = "A. E. Michel and W. Rausch and P. A. Ronsheim and R.
2884 title = "Rapid annealing and the anomalous diffusion of ion
2885 implanted boron into silicon",
2888 journal = "Appl. Phys. Lett.",
2892 keywords = "SILICON; ION IMPLANTATION; ANNEALING; DIFFUSION;
2893 BORON; ATOM TRANSPORT; CHARGEDPARTICLE TRANSPORT; VERY
2894 HIGH TEMPERATURE; PN JUNCTIONS; SURFACE CONDUCTIVITY",
2895 URL = "http://link.aip.org/link/?APL/50/416/1",
2896 doi = "10.1063/1.98160",
2897 notes = "ted of boron in si",
2901 author = "N. E. B. Cowern and K. T. F. Janssen and H. F. F.
2904 title = "Transient diffusion of ion-implanted {B} in Si: Dose,
2905 time, and matrix dependence of atomic and electrical
2909 journal = "J. Appl. Phys.",
2912 pages = "6191--6198",
2913 keywords = "BORON IONS; ION IMPLANTATION; SILICON; DIFFUSION; TIME
2914 DEPENDENCE; ANNEALING; VERY HIGH TEMPERATURE; SIMS;
2915 CRYSTALS; AMORPHIZATION",
2916 URL = "http://link.aip.org/link/?JAP/68/6191/1",
2917 doi = "10.1063/1.346910",
2918 notes = "ted of boron in si",
2922 author = "N. E. B. Cowern and A. Cacciato and J. S. Custer and
2923 F. W. Saris and W. Vandervorst",
2925 title = "Role of {C} and {B} clusters in transient diffusion of
2929 journal = "Appl. Phys. Lett.",
2932 pages = "1150--1152",
2933 keywords = "ATOMIC CLUSTERS; BORON ADDITIONS; CRYSTAL DOPING;
2934 DIFFUSION; DOPED MATERIALS; IMPURITIES; INTERSTITIALS;
2936 URL = "http://link.aip.org/link/?APL/68/1150/1",
2937 doi = "10.1063/1.115706",
2938 notes = "suppression of transient enhanced diffusion (ted)",
2942 title = "Implantation and transient boron diffusion: the role
2943 of the silicon self-interstitial",
2944 journal = "Nucl. Instrum. Methods Phys. Res. B",
2949 note = "Selected Papers of the Tenth International Conference
2950 on Ion Implantation Technology (IIT '94)",
2952 doi = "DOI: 10.1016/0168-583X(94)00481-1",
2953 URL = "http://www.sciencedirect.com/science/article/B6TJN-40WKY1P-29/2/602c6e5b809221323d2d2968edd0a71c",
2954 author = "P. A. Stolk and H. -J. Gossmann and D. J. Eaglesham
2959 author = "P. A. Stolk and H.-J. Gossmann and D. J. Eaglesham and
2960 D. C. Jacobson and C. S. Rafferty and G. H. Gilmer and
2961 M. Jara\'{\i}z and J. M. Poate and H. S. Luftman and T.
2964 title = "Physical mechanisms of transient enhanced dopant
2965 diffusion in ion-implanted silicon",
2968 journal = "J. Appl. Phys.",
2971 pages = "6031--6050",
2972 URL = "http://link.aip.org/link/?JAP/81/6031/1",
2973 doi = "10.1063/1.364452",
2974 notes = "ted, transient enhanced diffusion, c silicon trap",
2978 author = "A. R. Powell and F. K. LeGoues and S. S. Iyer",
2980 title = "Formation of beta-Si{C} nanocrystals by the relaxation
2981 of Si[sub 1 - y]{C}[sub y] random alloy layers",
2984 journal = "Appl. Phys. Lett.",
2988 keywords = "SILICON CARBIDES; NANOSTRUCTURES; DISPERSIONS;
2989 EPITAXIAL LAYERS; STRESS RELAXATION; ANNEALING;
2990 TEMPERATURE EFFECTS; PRECIPITATION; DISLOCATIONS;
2992 URL = "http://link.aip.org/link/?APL/64/324/1",
2993 doi = "10.1063/1.111195",
2994 notes = "beta sic nano crystals in si, mbe, annealing",
2998 author = "Richard A. Soref",
3000 title = "Optical band gap of the ternary semiconductor Si[sub 1
3001 - x - y]Ge[sub x]{C}[sub y]",
3004 journal = "J. Appl. Phys.",
3007 pages = "2470--2472",
3008 keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; ENERGY GAP;
3009 OPTICAL PROPERTIES; DIAMONDS; SEMICONDUCTOR ALLOYS;
3011 URL = "http://link.aip.org/link/?JAP/70/2470/1",
3012 doi = "10.1063/1.349403",
3013 notes = "band gap of strained si by c",
3017 author = "E Kasper",
3018 title = "Superlattices of group {IV} elements, a new
3019 possibility to produce direct band gap material",
3020 journal = "Phys. Scr.",
3023 URL = "http://stacks.iop.org/1402-4896/T35/232",
3025 notes = "superlattices, convert indirect band gap into a
3030 author = "K. Eberl and S. S. Iyer and S. Zollner and J. C. Tsang
3033 title = "Growth and strain compensation effects in the ternary
3034 Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloy system",
3037 journal = "Appl. Phys. Lett.",
3040 pages = "3033--3035",
3041 keywords = "SILICON ALLOYS; GERMANIUM ALLOYS; CARBON ALLOYS;
3042 TERNARY ALLOYS; SEMICONDUCTOR ALLOYS; MOLECULAR BEAM
3043 EPITAXY; INTERNAL STRAINS; TEMPERATURE EFFECTS; CRYSTAL
3044 STRUCTURE; LATTICE PARAMETERS; XRAY DIFFRACTION; PHASE
3046 URL = "http://link.aip.org/link/?APL/60/3033/1",
3047 doi = "10.1063/1.106774",
3051 author = "A. R. Powell and K. Eberl and F. E. LeGoues and B. A.
3054 title = "Stability of strained Si[sub 1 - y]{C}[sub y] random
3058 journal = "J. Vac. Sci. Technol. B",
3061 pages = "1064--1068",
3062 location = "Ottawa (Canada)",
3063 keywords = "SILICON ALLOYS; CARBON ALLOYS; STRAINS; THICKNESS;
3064 METASTABLE PHASES; TWINNING; DISLOCATIONS; MOLECULAR
3065 BEAM EPITAXY; EPITAXIAL LAYERS; CRITICAL PHENOMENA;
3066 TEMPERATURE RANGE 400--1000 K; BINARY ALLOYS",
3067 URL = "http://link.aip.org/link/?JVB/11/1064/1",
3068 doi = "10.1116/1.587008",
3069 notes = "substitutional c in si by mbe",
3072 @Article{powell93_2,
3073 title = "Si[sub 1-x-y]Ge[sub x]{C}[sub y] growth and properties
3074 of the ternary system",
3075 journal = "J. Cryst. Growth",
3082 doi = "DOI: 10.1016/0022-0248(93)90653-E",
3083 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46J3RF2-8H/2/27fc231f28e4dc0a3b4770e5cf03257e",
3084 author = "A. R. Powell and K. Eberl and B. A. Ek and S. S.
3089 author = "H. J. Osten",
3090 title = "Modification of Growth Modes in Lattice-Mismatched
3091 Epitaxial Systems: Si/Ge",
3092 journal = "phys. status solidi (a)",
3095 publisher = "WILEY-VCH Verlag",
3097 URL = "http://dx.doi.org/10.1002/pssa.2211450203",
3098 doi = "10.1002/pssa.2211450203",
3103 @Article{dietrich94,
3104 title = "Lattice distortion in a strain-compensated
3105 $Si_{1-x-y}$$Ge_{x}$${C}_{y}$ layer on silicon",
3106 author = "B. Dietrich and H. J. Osten and H. R{\"u}cker and M.
3107 Methfessel and P. Zaumseil",
3108 journal = "Phys. Rev. B",
3111 pages = "17185--17190",
3115 doi = "10.1103/PhysRevB.49.17185",
3116 publisher = "American Physical Society",
3120 author = "H. J. Osten and E. Bugiel and P. Zaumseil",
3122 title = "Growth of an inverse tetragonal distorted SiGe layer
3123 on Si(001) by adding small amounts of carbon",
3126 journal = "Appl. Phys. Lett.",
3129 pages = "3440--3442",
3130 keywords = "SILICON ALLOYS; GERMANIUM ALLOYS; FILM GROWTH; CARBON
3131 ALLOYS; TERNARY ALLOYS; MOLECULAR BEAM EPITAXY; TEM;
3132 XRD; LATTICE PARAMETERS; EPITAXIAL LAYERS; TETRAGONAL
3134 URL = "http://link.aip.org/link/?APL/64/3440/1",
3135 doi = "10.1063/1.111235",
3136 notes = "inversely strained / distorted heterostructure",
3140 author = "S. S. Iyer and K. Eberl and M. S. Goorsky and F. K.
3141 LeGoues and J. C. Tsang and F. Cardone",
3143 title = "Synthesis of Si[sub 1 - y]{C}[sub y] alloys by
3144 molecular beam epitaxy",
3147 journal = "Appl. Phys. Lett.",
3151 keywords = "SILICON ALLOYS; CARBON ALLOYS; BINARY ALLOYS;
3152 SEMICONDUCTOR ALLOYS; SUPERLATTICES; MOLECULAR BEAM
3153 EPITAXY; CHEMICAL COMPOSITION; TEMPERATURE EFFECTS;
3154 FILM GROWTH; MICROSTRUCTURE",
3155 URL = "http://link.aip.org/link/?APL/60/356/1",
3156 doi = "10.1063/1.106655",
3160 author = "H. J. Osten and J. Griesche and S. Scalese",
3162 title = "Substitutional carbon incorporation in epitaxial
3163 Si[sub 1 - y]{C}[sub y] alloys on Si(001) grown by
3164 molecular beam epitaxy",
3167 journal = "Appl. Phys. Lett.",
3171 keywords = "molecular beam epitaxial growth; semiconductor growth;
3172 wide band gap semiconductors; interstitials; silicon
3174 URL = "http://link.aip.org/link/?APL/74/836/1",
3175 doi = "10.1063/1.123384",
3176 notes = "substitutional c in si by mbe",
3180 author = "M. Born and R. Oppenheimer",
3181 title = "Zur Quantentheorie der Molekeln",
3182 journal = "Ann. Phys. (Leipzig)",
3185 publisher = "WILEY-VCH Verlag",
3187 URL = "http://dx.doi.org/10.1002/andp.19273892002",
3188 doi = "10.1002/andp.19273892002",
3193 @Article{hohenberg64,
3194 title = "Inhomogeneous Electron Gas",
3195 author = "P. Hohenberg and W. Kohn",
3196 journal = "Phys. Rev.",
3199 pages = "B864--B871",
3203 doi = "10.1103/PhysRev.136.B864",
3204 publisher = "American Physical Society",
3205 notes = "density functional theory, dft",
3209 title = "The calculation of atomic fields",
3210 author = "L. H. Thomas",
3211 journal = "Proc. Cambridge Philos. Soc.",
3215 doi = "10.1017/S0305004100011683",
3220 author = "E. Fermi",
3221 journal = "Atti Accad. Naz. Lincei, Cl. Sci. Fis. Mat. Nat.
3229 title = "The Wave Mechanics of an Atom with a Non-Coulomb
3230 Central Field. Part {I}. Theory and Methods",
3231 author = "D. R. Hartree",
3232 journal = "Proc. Cambridge Philos. Soc.",
3236 doi = "10.1017/S0305004100011919",
3240 title = "The Theory of Complex Spectra",
3241 author = "J. C. Slater",
3242 journal = "Phys. Rev.",
3245 pages = "1293--1322",
3249 doi = "10.1103/PhysRev.34.1293",
3250 publisher = "American Physical Society",
3254 title = "Self-Consistent Equations Including Exchange and
3255 Correlation Effects",
3256 author = "W. Kohn and L. J. Sham",
3257 journal = "Phys. Rev.",
3260 pages = "A1133--A1138",
3264 doi = "10.1103/PhysRev.140.A1133",
3265 publisher = "American Physical Society",
3266 notes = "dft, exchange and correlation",
3270 title = "Density Functional and Density Matrix Method Scaling
3271 Linearly with the Number of Atoms",
3273 journal = "Phys. Rev. Lett.",
3276 pages = "3168--3171",
3280 doi = "10.1103/PhysRevLett.76.3168",
3281 publisher = "American Physical Society",
3285 title = "Edge Electron Gas",
3286 author = "Walter Kohn and Ann E. Mattsson",
3287 journal = "Phys. Rev. Lett.",
3290 pages = "3487--3490",
3294 doi = "10.1103/PhysRevLett.81.3487",
3295 publisher = "American Physical Society",
3299 title = "Nobel Lecture: Electronic structure of matter---wave
3300 functions and density functionals",
3302 journal = "Rev. Mod. Phys.",
3305 pages = "1253--1266",
3309 doi = "10.1103/RevModPhys.71.1253",
3310 publisher = "American Physical Society",
3314 title = "Iterative minimization techniques for ab initio
3315 total-energy calculations: molecular dynamics and
3316 conjugate gradients",
3317 author = "M. C. Payne and M. P. Teter and D. C. Allan and T. A.
3318 Arias and J. D. Joannopoulos",
3319 journal = "Rev. Mod. Phys.",
3322 pages = "1045--1097",
3326 doi = "10.1103/RevModPhys.64.1045",
3327 publisher = "American Physical Society",
3331 title = "Electron densities in search of Hamiltonians",
3332 author = "Mel Levy",
3333 journal = "Phys. Rev. A",
3336 pages = "1200--1208",
3340 doi = "10.1103/PhysRevA.26.1200",
3341 publisher = "American Physical Society",
3345 title = "Strain-stabilized highly concentrated pseudomorphic
3346 $Si1-x$$Cx$ layers in Si",
3347 author = "H. R{\"u}cker and M. Methfessel and E. Bugiel and H.
3349 journal = "Phys. Rev. Lett.",
3352 pages = "3578--3581",
3356 doi = "10.1103/PhysRevLett.72.3578",
3357 publisher = "American Physical Society",
3358 notes = "high c concentration in si, heterostructure, strained
3363 title = "Phosphorous Doping of Strain-Induced
3364 Si$_{1-y}${C}$_{y}$ Epitaxial Films Grown\\
3365 by Low-Temperature Chemical Vapor Deposition",
3366 author = "Shuhei Yagi and Katsuya Abe and Takashi Okabayashi and
3367 Yuichi Yoneyama and Akira Yamada and Makoto Konagai",
3368 journal = "Japanese J. Appl. Phys.",
3370 number = "Part 1, No. 4B",
3371 pages = "2472--2475",
3374 URL = "http://jjap.jsap.jp/link?JJAP/41/2472/",
3375 doi = "10.1143/JJAP.41.2472",
3376 publisher = "The Japan Society of Applied Physics",
3377 notes = "experimental charge carrier mobility in strained si",
3381 title = "Electron Transport Model for Strained Silicon-Carbon
3383 author = "Shu-Tong Chang and Chung-Yi Lin",
3384 journal = "Japanese J. Appl. Phys.",
3387 pages = "2257--2262",
3390 URL = "http://jjap.ipap.jp/link?JJAP/44/2257/",
3391 doi = "10.1143/JJAP.44.2257",
3392 publisher = "The Japan Society of Applied Physics",
3393 notes = "enhance of electron mobility in strained si",
3396 @Article{kissinger94,
3397 author = "W. Kissinger and M. Weidner and H. J. Osten and M.
3400 title = "Optical transitions in strained Si[sub 1 - y]{C}[sub
3401 y] layers on Si(001)",
3404 journal = "Appl. Phys. Lett.",
3407 pages = "3356--3358",
3408 keywords = "SILICON CARBIDES; INTERNAL STRAINS; EPITAXIAL LAYERS;
3409 CHEMICAL COMPOSITION; ELLIPSOMETRY; REFLECTION
3410 SPECTROSCOPY; ELECTROOPTICAL EFFECTS; BAND STRUCTURE;
3411 ENERGY LEVELS; ENERGYLEVEL TRANSITIONS",
3412 URL = "http://link.aip.org/link/?APL/65/3356/1",
3413 doi = "10.1063/1.112390",
3414 notes = "strained si influence on optical properties",
3418 author = "H. J. Osten and Myeongcheol Kim and K. Pressel and P.
3421 title = "Substitutional versus interstitial carbon
3422 incorporation during pseudomorphic growth of Si[sub 1 -
3423 y]{C}[sub y] on Si(001)",
3426 journal = "J. Appl. Phys.",
3429 pages = "6711--6715",
3430 keywords = "SILICON CARBIDES; CRYSTAL DEFECTS; FILM GROWTH;
3431 MOLECULAR BEAM EPITAXY; INTERSTITIALS; SUBSTITUTION;
3433 URL = "http://link.aip.org/link/?JAP/80/6711/1",
3434 doi = "10.1063/1.363797",
3435 notes = "mbe substitutional vs interstitial c incorporation",
3439 author = "H. J. Osten and P. Gaworzewski",
3441 title = "Charge transport in strained Si[sub 1 - y]{C}[sub y]
3442 and Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloys on
3446 journal = "J. Appl. Phys.",
3449 pages = "4977--4981",
3450 keywords = "silicon compounds; Ge-Si alloys; wide band gap
3451 semiconductors; semiconductor epitaxial layers; carrier
3452 density; Hall mobility; interstitials; defect states",
3453 URL = "http://link.aip.org/link/?JAP/82/4977/1",
3454 doi = "10.1063/1.366364",
3455 notes = "charge transport in strained si",
3459 title = "Carbon-mediated aggregation of self-interstitials in
3460 silicon: {A} large-scale molecular dynamics study",
3461 author = "Sumeet S. Kapur and Manish Prasad and Talid Sinno",
3462 journal = "Phys. Rev. B",
3469 doi = "10.1103/PhysRevB.69.155214",
3470 publisher = "American Physical Society",
3471 notes = "simulation using promising tersoff reparametrization",
3475 title = "Event-Based Relaxation of Continuous Disordered
3477 author = "G. T. Barkema and Normand Mousseau",
3478 journal = "Phys. Rev. Lett.",
3481 pages = "4358--4361",
3485 doi = "10.1103/PhysRevLett.77.4358",
3486 publisher = "American Physical Society",
3487 notes = "activation relaxation technique, art, speed up slow
3492 author = "E. Canc\`{e}s and F. Legoll and M.-C. Marinica and K.
3493 Minoukadeh and F. Willaime",
3495 title = "Some improvements of the activation-relaxation
3496 technique method for finding transition pathways on
3497 potential energy surfaces",
3500 journal = "J. Chem. Phys.",
3506 keywords = "eigenvalues and eigenfunctions; iron; potential energy
3507 surfaces; vacancies (crystal)",
3508 URL = "http://link.aip.org/link/?JCP/130/114711/1",
3509 doi = "10.1063/1.3088532",
3510 notes = "improvements to art, refs for methods to find
3511 transition pathways",
3514 @Article{parrinello81,
3515 author = "M. Parrinello and A. Rahman",
3517 title = "Polymorphic transitions in single crystals: {A} new
3518 molecular dynamics method",
3521 journal = "J. Appl. Phys.",
3524 pages = "7182--7190",
3525 keywords = "MONOCRYSTALS; PHASE TRANSFORMATIONS; STRUCTURAL
3526 MODELS; DYNAMICS; THEORETICAL DATA; STRESSES;
3527 CONFIGURATION; LAGRANGE EQUATIONS; SIZE; NICKEL;
3528 COMPRESSION; TENSILE PROPERTIES; COMPARATIVE
3529 EVALUATIONS; STRAINS; CUBIC LATTICES; HCP LATTICES;
3531 URL = "http://link.aip.org/link/?JAP/52/7182/1",
3532 doi = "10.1063/1.328693",
3535 @Article{stillinger85,
3536 title = "Computer simulation of local order in condensed phases
3538 author = "Frank H. Stillinger and Thomas A. Weber",
3539 journal = "Phys. Rev. B",
3542 pages = "5262--5271",
3546 doi = "10.1103/PhysRevB.31.5262",
3547 publisher = "American Physical Society",
3551 title = "Empirical potential for hydrocarbons for use in
3552 simulating the chemical vapor deposition of diamond
3554 author = "Donald W. Brenner",
3555 journal = "Phys. Rev. B",
3558 pages = "9458--9471",
3562 doi = "10.1103/PhysRevB.42.9458",
3563 publisher = "American Physical Society",
3564 notes = "brenner hydro carbons",
3568 title = "Modeling of Covalent Bonding in Solids by Inversion of
3569 Cohesive Energy Curves",
3570 author = "Martin Z. Bazant and Efthimios Kaxiras",
3571 journal = "Phys. Rev. Lett.",
3574 pages = "4370--4373",
3578 doi = "10.1103/PhysRevLett.77.4370",
3579 publisher = "American Physical Society",
3580 notes = "first si edip",
3584 title = "Environment-dependent interatomic potential for bulk
3586 author = "Martin Z. Bazant and Efthimios Kaxiras and J. F.
3588 journal = "Phys. Rev. B",
3591 pages = "8542--8552",
3595 doi = "10.1103/PhysRevB.56.8542",
3596 publisher = "American Physical Society",
3597 notes = "second si edip",
3601 title = "Interatomic potential for silicon defects and
3603 author = "Jo\tilde{a}o F. Justo and Martin Z. Bazant and
3604 Efthimios Kaxiras and V. V. Bulatov and Sidney Yip",
3605 journal = "Phys. Rev. B",
3608 pages = "2539--2550",
3612 doi = "10.1103/PhysRevB.58.2539",
3613 publisher = "American Physical Society",
3614 notes = "latest si edip, good dislocation explanation",
3618 journal = "{PARCAS} molecular dynamics code",
3619 author = "K. Nordlund",
3624 title = "Hyperdynamics: Accelerated Molecular Dynamics of
3626 author = "Arthur F. Voter",
3627 journal = "Phys. Rev. Lett.",
3630 pages = "3908--3911",
3634 doi = "10.1103/PhysRevLett.78.3908",
3635 publisher = "American Physical Society",
3636 notes = "hyperdynamics, accelerated md",
3640 author = "Arthur F. Voter",
3642 title = "A method for accelerating the molecular dynamics
3643 simulation of infrequent events",
3646 journal = "J. Chem. Phys.",
3649 pages = "4665--4677",
3650 keywords = "COMPUTERIZED SIMULATION; NICKEL; DIFFUSION; ATOM
3651 TRANSPORT; MOLECULAR ORBITAL METHOD; POTENTIAL ENERGY;
3652 SURFACE POTENTIAL; MOLECULAR DYNAMICS METHOD; potential
3653 energy functions; surface diffusion; reaction kinetics
3654 theory; potential energy surfaces",
3655 URL = "http://link.aip.org/link/?JCP/106/4665/1",
3656 doi = "10.1063/1.473503",
3657 notes = "improved hyperdynamics md",
3660 @Article{sorensen2000,
3661 author = "Mads R. S{\o }rensen and Arthur F. Voter",
3663 title = "Temperature-accelerated dynamics for simulation of
3667 journal = "J. Chem. Phys.",
3670 pages = "9599--9606",
3671 keywords = "SOLID STATE PHYSICS; SIMULATION; DIFFUSION; SURFACES;
3672 MOLECULAR DYNAMICS METHOD; surface diffusion",
3673 URL = "http://link.aip.org/link/?JCP/112/9599/1",
3674 doi = "10.1063/1.481576",
3675 notes = "temperature accelerated dynamics, tad",
3679 title = "Parallel replica method for dynamics of infrequent
3681 author = "Arthur F. Voter",
3682 journal = "Phys. Rev. B",
3685 pages = "R13985--R13988",
3689 doi = "10.1103/PhysRevB.57.R13985",
3690 publisher = "American Physical Society",
3691 notes = "parallel replica method, accelerated md",
3695 author = "Xiongwu Wu and Shaomeng Wang",
3697 title = "Enhancing systematic motion in molecular dynamics
3701 journal = "J. Chem. Phys.",
3704 pages = "9401--9410",
3705 keywords = "molecular dynamics method; argon; Lennard-Jones
3706 potential; crystallisation; liquid theory",
3707 URL = "http://link.aip.org/link/?JCP/110/9401/1",
3708 doi = "10.1063/1.478948",
3709 notes = "self guided md, sgmd, accelerated md, enhancing
3713 @Article{choudhary05,
3714 author = "Devashish Choudhary and Paulette Clancy",
3716 title = "Application of accelerated molecular dynamics schemes
3717 to the production of amorphous silicon",
3720 journal = "J. Chem. Phys.",
3726 keywords = "molecular dynamics method; silicon; glass structure;
3727 amorphous semiconductors",
3728 URL = "http://link.aip.org/link/?JCP/122/154509/1",
3729 doi = "10.1063/1.1878733",
3730 notes = "explanation of sgmd and hyper md, applied to amorphous
3735 author = "W. J. Taylor and T. Y. Tan and U. G{\"{o}}sele",
3737 title = "Carbon precipitation in silicon: Why is it so
3741 journal = "Appl. Phys. Lett.",
3744 pages = "3336--3338",
3745 keywords = "SILICON; CARBON ADDITIONS; OXYGEN ADDITIONS; DOPED
3746 MATERIALS; PRECIPITATION; THERMODYNAMICS; SURFACE
3748 URL = "http://link.aip.org/link/?APL/62/3336/1",
3749 doi = "10.1063/1.109063",
3750 notes = "interfacial energy of cubic sic and si, si self
3751 interstitials necessary for precipitation, volume
3752 decrease, high interface energy",
3755 @Article{chaussende08,
3756 title = "Prospects for 3{C}-Si{C} bulk crystal growth",
3757 journal = "J. Cryst. Growth",
3762 note = "Proceedings of the E-MRS Conference, Symposium G -
3763 Substrates of Wide Bandgap Materials",
3765 doi = "DOI: 10.1016/j.jcrysgro.2007.11.140",
3766 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4R7J67S-F/2/e92fc194b652409f5b119393d608b082",
3767 author = "D. Chaussende and F. Mercier and A. Boulle and F.
3768 Conchon and M. Soueidan and G. Ferro and A. Mantzari
3769 and A. Andreadou and E. K. Polychroniadis and C.
3770 Balloud and S. Juillaguet and J. Camassel and M. Pons",
3771 notes = "3c-sic crystal growth, sic fabrication + links,
3775 @Article{chaussende07,
3776 author = "D. Chaussende and P. J. Wellmann and M. Pons",
3777 title = "Status of Si{C} bulk growth processes",
3778 journal = "J. Phys. D",
3782 URL = "http://stacks.iop.org/0022-3727/40/i=20/a=S02",
3784 notes = "review of sic single crystal growth methods, process
3789 title = "Forces in Molecules",
3790 author = "R. P. Feynman",
3791 journal = "Phys. Rev.",
3798 doi = "10.1103/PhysRev.56.340",
3799 publisher = "American Physical Society",
3800 notes = "hellmann feynman forces",
3804 title = "Bonding Arrangements at the $Si-Si{O}_{2}$ and
3805 $Si{C}-Si{O}_{2}$ Interfaces and a Possible Origin of
3806 their Contrasting Properties",
3807 author = "Ryszard Buczko and Stephen J. Pennycook and Sokrates
3809 journal = "Phys. Rev. Lett.",
3816 doi = "10.1103/PhysRevLett.84.943",
3817 publisher = "American Physical Society",
3818 notes = "si sio2 and sic sio2 interface",
3821 @Article{djurabekova08,
3822 title = "Atomistic simulation of the interface structure of Si
3823 nanocrystals embedded in amorphous silica",
3824 author = "Flyura Djurabekova and Kai Nordlund",
3825 journal = "Phys. Rev. B",
3832 doi = "10.1103/PhysRevB.77.115325",
3833 publisher = "American Physical Society",
3834 notes = "nc-si in sio2, interface energy, nc construction,
3835 angular distribution, coordination",
3839 author = "C. Wen and Y. M. Wang and W. Wan and F. H. Li and J.
3840 W. Liang and J. Zou",
3842 title = "Nature of interfacial defects and their roles in
3843 strain relaxation at highly lattice mismatched
3844 3{C}-Si{C}/Si (001) interface",
3847 journal = "J. Appl. Phys.",
3853 keywords = "anelastic relaxation; crystal structure; dislocations;
3854 elemental semiconductors; semiconductor growth;
3855 semiconductor thin films; silicon; silicon compounds;
3856 stacking faults; wide band gap semiconductors",
3857 URL = "http://link.aip.org/link/?JAP/106/073522/1",
3858 doi = "10.1063/1.3234380",
3859 notes = "sic/si interface, follow refs, tem image
3860 deconvolution, dislocation defects",
3863 @Article{kitabatake93,
3864 author = "Makoto Kitabatake and Masahiro Deguchi and Takashi
3867 title = "Simulations and experiments of Si{C} heteroepitaxial
3868 growth on Si(001) surface",
3871 journal = "J. Appl. Phys.",
3874 pages = "4438--4445",
3875 keywords = "SILICON CARBIDES; FILM GROWTH; SIMULATION; MOLECULAR
3876 BEAM EPITAXY; MOLECULAR DYNAMICS CALCULATIONS; SILICON;
3877 MICROSTRUCTURE; ULTRAVIOLET RADIATION; IRRADIATION",
3878 URL = "http://link.aip.org/link/?JAP/74/4438/1",
3879 doi = "10.1063/1.354385",
3880 notes = "mbe and md of sic growth on si, 4 to 5 shrinkage
3884 @Article{kitabatake97,
3885 author = "Makoto Kitabatake",
3886 title = "Simulations and Experiments of 3{C}-Si{C}/Si
3887 Heteroepitaxial Growth",
3888 publisher = "WILEY-VCH Verlag",
3890 journal = "phys. status solidi (b)",
3893 URL = "http://dx.doi.org/10.1002/1521-3951(199707)202:1<405::AID-PSSB405>3.0.CO;2-5",
3894 doi = "10.1002/1521-3951(199707)202:1<405::AID-PSSB405>3.0.CO;2-5",
3895 notes = "3c-sic heteroepitaxial growth on si off-axis model",
3899 title = "Strain relaxation and thermal stability of the
3900 3{C}-Si{C}(001)/Si(001) interface: {A} molecular
3902 journal = "Thin Solid Films",
3909 doi = "DOI: 10.1016/S0040-6090(96)09257-7",
3910 URL = "http://www.sciencedirect.com/science/article/B6TW0-41WBB52-C/2/6ef684a04d02dd3b108f972377cde8f4",
3911 author = "V. Chirita and L. Hultman and L. R. Wallenberg",
3912 keywords = "Strain relaxation",
3913 keywords = "Interfaces",
3914 keywords = "Thermal stability",
3915 keywords = "Molecular dynamics",
3916 notes = "tersoff sic/si interface study",
3920 title = "Ab initio Study of Misfit Dislocations at the
3921 $Si{C}/Si(001)$ Interface",
3922 author = "Giancarlo Cicero and Laurent Pizzagalli and Alessandra
3924 journal = "Phys. Rev. Lett.",
3931 doi = "10.1103/PhysRevLett.89.156101",
3932 publisher = "American Physical Society",
3933 notes = "sic/si interface study",
3936 @Article{pizzagalli03,
3937 title = "Theoretical investigations of a highly mismatched
3938 interface: Si{C}/Si(001)",
3939 author = "Laurent Pizzagalli and Giancarlo Cicero and Alessandra
3941 journal = "Phys. Rev. B",
3948 doi = "10.1103/PhysRevB.68.195302",
3949 publisher = "American Physical Society",
3950 notes = "tersoff md and ab initio sic/si interface study",
3954 title = "Atomic configurations of dislocation core and twin
3955 boundaries in $ 3{C}-Si{C} $ studied by high-resolution
3956 electron microscopy",
3957 author = "C. Y. Tang and F. H. Li and R. Wang and J. Zou and X.
3958 H. Zheng and J. W. Liang",
3959 journal = "Phys. Rev. B",
3966 doi = "10.1103/PhysRevB.75.184103",
3967 publisher = "American Physical Society",
3968 notes = "hrem image deconvolution on 3c-sic on si, distinguish
3972 @Article{hornstra58,
3973 title = "Dislocations in the diamond lattice",
3974 journal = "J. Phys. Chem. Solids",
3981 doi = "DOI: 10.1016/0022-3697(58)90138-0",
3982 URL = "http://www.sciencedirect.com/science/article/B6TXR-46MMPHJ-10D/2/7176c01c29cd4e73faa26ab2aacdcea5",
3983 author = "J. Hornstra",
3984 notes = "dislocations in diamond lattice",
3988 title = "Synthesis of $\beta$-Si{C} Layer in Silicon by Carbon
3989 Ion `Hot' Implantation",
3990 author = "Masahiro Deguchi and Makoto Kitabatake and Takashi
3991 Hirao and Naoki Arai and Tomio Izumi",
3992 journal = "Japanese J. Appl. Phys.",
3994 number = "Part 1, No. 2A",
3998 URL = "http://jjap.ipap.jp/link?JJAP/31/343/",
3999 doi = "10.1143/JJAP.31.343",
4000 publisher = "The Japan Society of Applied Physics",
4001 notes = "c-c bonds in c implanted si, hot implantation
4002 efficiency, c-c hard to break by thermal annealing",
4005 @Article{eichhorn99,
4006 author = "F. Eichhorn and N. Schell and W. Matz and R.
4009 title = "Strain and Si{C} particle formation in silicon
4010 implanted with carbon ions of medium fluence studied by
4011 synchrotron x-ray diffraction",
4014 journal = "J. Appl. Phys.",
4017 pages = "4184--4187",
4018 keywords = "silicon; carbon; elemental semiconductors; chemical
4019 interdiffusion; ion implantation; X-ray diffraction;
4020 precipitation; semiconductor doping",
4021 URL = "http://link.aip.org/link/?JAP/86/4184/1",
4022 doi = "10.1063/1.371344",
4023 notes = "sic conversion by ibs, detected substitutional carbon,
4024 expansion of si lattice",
4027 @Article{eichhorn02,
4028 author = "F. Eichhorn and N. Schell and A. M{\"{u}}cklich and H.
4029 Metzger and W. Matz and R. K{\"{o}}gler",
4031 title = "Structural relation between Si and Si{C} formed by
4032 carbon ion implantation",
4035 journal = "J. Appl. Phys.",
4038 pages = "1287--1292",
4039 keywords = "silicon compounds; wide band gap semiconductors; ion
4040 implantation; annealing; X-ray scattering; transmission
4041 electron microscopy",
4042 URL = "http://link.aip.org/link/?JAP/91/1287/1",
4043 doi = "10.1063/1.1428105",
4044 notes = "3c-sic alignement to si host in ibs depending on
4045 temperature, might explain c into c sub trafo",
4049 author = "G Lucas and M Bertolus and L Pizzagalli",
4050 title = "An environment-dependent interatomic potential for
4051 silicon carbide: calculation of bulk properties,
4052 high-pressure phases, point and extended defects, and
4053 amorphous structures",
4054 journal = "J. Phys.: Condens. Matter",
4058 URL = "http://stacks.iop.org/0953-8984/22/i=3/a=035802",
4064 author = "J Godet and L Pizzagalli and S Brochard and P
4066 title = "Comparison between classical potentials and ab initio
4067 methods for silicon under large shear",
4068 journal = "J. Phys.: Condens. Matter",
4072 URL = "http://stacks.iop.org/0953-8984/15/i=41/a=004",
4074 notes = "comparison of empirical potentials, stillinger weber,
4075 edip, tersoff, ab initio",
4078 @Article{moriguchi98,
4079 title = "Verification of Tersoff's Potential for Static
4080 Structural Analysis of Solids of Group-{IV} Elements",
4081 author = "Koji Moriguchi and Akira Shintani",
4082 journal = "Japanese J. Appl. Phys.",
4084 number = "Part 1, No. 2",
4088 URL = "http://jjap.ipap.jp/link?JJAP/37/414/",
4089 doi = "10.1143/JJAP.37.414",
4090 publisher = "The Japan Society of Applied Physics",
4091 notes = "tersoff stringent test",
4094 @Article{mazzarolo01,
4095 title = "Low-energy recoils in crystalline silicon: Quantum
4097 author = "Massimiliano Mazzarolo and Luciano Colombo and Giorgio
4098 Lulli and Eros Albertazzi",
4099 journal = "Phys. Rev. B",
4106 doi = "10.1103/PhysRevB.63.195207",
4107 publisher = "American Physical Society",
4110 @Article{holmstroem08,
4111 title = "Threshold defect production in silicon determined by
4112 density functional theory molecular dynamics
4114 author = "E. Holmstr{\"o}m and A. Kuronen and K. Nordlund",
4115 journal = "Phys. Rev. B",
4122 doi = "10.1103/PhysRevB.78.045202",
4123 publisher = "American Physical Society",
4124 notes = "threshold displacement comparison empirical and ab
4128 @Article{nordlund97,
4129 title = "Repulsive interatomic potentials calculated using
4130 Hartree-Fock and density-functional theory methods",
4131 journal = "Nucl. Instrum. Methods Phys. Res. B",
4138 doi = "DOI: 10.1016/S0168-583X(97)00447-3",
4139 URL = "http://www.sciencedirect.com/science/article/B6TJN-4CP0TGF-91/2/1a9100c0aae82d2d258fc83dfdba23c1",
4140 author = "K. Nordlund and N. Runeberg and D. Sundholm",
4141 notes = "repulsive ab initio potential",
4145 title = "Efficiency of ab-initio total energy calculations for
4146 metals and semiconductors using a plane-wave basis
4148 journal = "Comput. Mater. Sci.",
4155 doi = "DOI: 10.1016/0927-0256(96)00008-0",
4156 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74",
4157 author = "G. Kresse and J. Furthm{\"{u}}ller",
4162 title = "Projector augmented-wave method",
4163 author = "P. E. Bl{\"o}chl",
4164 journal = "Phys. Rev. B",
4167 pages = "17953--17979",
4171 doi = "10.1103/PhysRevB.50.17953",
4172 publisher = "American Physical Society",
4173 notes = "paw method",
4176 @InCollection{cohen70,
4177 title = "The Fitting of Pseudopotentials to Experimental Data
4178 and Their Subsequent Application",
4179 editor = "Frederick Seitz Henry Ehrenreich and David Turnbull",
4180 publisher = "Academic Press",
4184 series = "Solid State Physics",
4186 doi = "DOI: 10.1016/S0081-1947(08)60070-3",
4187 URL = "http://www.sciencedirect.com/science/article/B8GXT-4S9NXKG-9/2/ba01db77c8b19c2bab01506d4ea571b3",
4188 author = "Marvin L. Cohen and Volker Heine",
4192 title = "Nanostructures: Theory and Modelling",
4193 author = "Christophe Delerue and Michel Lannoo",
4195 publisher = "Springer",
4199 title = "Development of a nanoelectronic 3-{D} ({NEMO} 3-{D})
4200 simulator for multimillion atom simulations and its
4201 application to alloyed quantum dots",
4202 author = "Gerhard Klimeck and Fabiano Oyafuso and Timothy B
4203 Boykin and R Chris Bowen and Paul von Allmen",
4205 journal = "Comput. Modeling Eng. Sci.",
4211 title = "Atomistic simulation of realistically sized
4212 nanodevices using {NEMO} 3-{D}¿Part {I}: Models and
4214 author = "Gerhard Klimeck and Shaikh Shahid Ahmed and Hansang
4215 Bae and Neerav Kharche and Steve Clark and Benjamin
4216 Haley and Sunhee Lee and Maxim Naumov and Hoon Ryu and
4217 Faisal Saied and others",
4218 journal = "Electron Devices, IEEE Transactions on",
4221 pages = "2079--2089",
4227 title = "Norm-Conserving Pseudopotentials",
4228 author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
4229 journal = "Phys. Rev. Lett.",
4232 pages = "1494--1497",
4236 doi = "10.1103/PhysRevLett.43.1494",
4237 publisher = "American Physical Society",
4238 notes = "norm-conserving pseudopotentials",
4241 @Article{kleinman82,
4242 journal = "Phys. Rev. Lett.",
4244 doi = "10.1103/PhysRevLett.48.1425",
4246 author = "Leonard Kleinman and D. M. Bylander",
4247 title = "Efficacious Form for Model Pseudopotentials",
4249 URL = "http://link.aps.org/doi/10.1103/PhysRevLett.48.1425",
4250 publisher = "American Physical Society",
4251 pages = "1425--1428",
4255 @Article{troullier91,
4256 title = "Efficient pseudopotentials for plane-wave
4258 author = "N. Troullier and Jos\'e Luriaas Martins",
4259 journal = "Phys. Rev. B",
4262 pages = "1993--2006",
4266 doi = "10.1103/PhysRevB.43.1993",
4267 publisher = "American Physical Society",
4270 @Article{vanderbilt90,
4271 title = "Soft self-consistent pseudopotentials in a generalized
4272 eigenvalue formalism",
4273 author = "David Vanderbilt",
4274 journal = "Phys. Rev. B",
4277 pages = "7892--7895",
4281 doi = "10.1103/PhysRevB.41.7892",
4282 publisher = "American Physical Society",
4283 notes = "vasp pseudopotentials",
4286 @Article{ceperley80,
4287 title = "Ground State of the Electron Gas by a Stochastic
4289 author = "D. M. Ceperley and B. J. Alder",
4290 journal = "Phys. Rev. Lett.",
4297 doi = "10.1103/PhysRevLett.45.566",
4298 publisher = "American Physical Society",
4302 title = "Self-interaction correction to density-functional
4303 approximations for many-electron systems",
4304 author = "J. P. Perdew and Alex Zunger",
4305 journal = "Phys. Rev. B",
4308 pages = "5048--5079",
4312 doi = "10.1103/PhysRevB.23.5048",
4313 publisher = "American Physical Society",
4317 title = "Accurate and simple density functional for the
4318 electronic exchange energy: Generalized gradient
4320 author = "John P. Perdew and Yue Wang",
4321 journal = "Phys. Rev. B",
4324 pages = "8800--8802",
4328 doi = "10.1103/PhysRevB.33.8800",
4329 publisher = "American Physical Society",
4330 notes = "rapid communication gga",
4334 title = "Generalized gradient approximations for exchange and
4335 correlation: {A} look backward and forward",
4336 journal = "Physica B",
4343 doi = "DOI: 10.1016/0921-4526(91)90409-8",
4344 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8GR9-3D/2/18e610a616e4d80b934079c89063ece7",
4345 author = "John P. Perdew",
4346 notes = "gga overview",
4350 title = "Atoms, molecules, solids, and surfaces: Applications
4351 of the generalized gradient approximation for exchange
4353 author = "John P. Perdew and J. A. Chevary and S. H. Vosko and
4354 Koblar A. Jackson and Mark R. Pederson and D. J. Singh
4355 and Carlos Fiolhais",
4356 journal = "Phys. Rev. B",
4359 pages = "6671--6687",
4363 doi = "10.1103/PhysRevB.46.6671",
4364 publisher = "American Physical Society",
4365 notes = "gga pw91 (as in vasp)",
4369 title = "Special Points in the Brillouin Zone",
4370 author = "D. J. Chadi and Marvin L. Cohen",
4371 journal = "Phys. Rev. B",
4374 pages = "5747--5753",
4378 doi = "10.1103/PhysRevB.8.5747",
4379 publisher = "American Physical Society",
4382 @Article{baldereschi73,
4383 title = "Mean-Value Point in the Brillouin Zone",
4384 author = "A. Baldereschi",
4385 journal = "Phys. Rev. B",
4388 pages = "5212--5215",
4392 doi = "10.1103/PhysRevB.7.5212",
4393 publisher = "American Physical Society",
4394 notes = "mean value k point",
4397 @Article{monkhorst76,
4398 title = "Special points for Brillouin-zone integrations",
4399 author = "Hendrik J. Monkhorst and James D. Pack",
4400 journal = "Phys. Rev. B",
4403 pages = "5188--5192",
4407 doi = "10.1103/PhysRevB.13.5188",
4408 publisher = "American Physical Society",
4412 title = "Ab initio pseudopotential calculations of dopant
4414 journal = "Comput. Mater. Sci.",
4421 doi = "DOI: 10.1016/S0927-0256(98)00023-8",
4422 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VB7F2K-7/2/aa864582273be8e054300efb7bd16a1b",
4423 author = "Jing Zhu",
4424 keywords = "TED (transient enhanced diffusion)",
4425 keywords = "Boron dopant",
4426 keywords = "Carbon dopant",
4427 keywords = "Defect",
4428 keywords = "ab initio pseudopotential method",
4429 keywords = "Impurity cluster",
4430 notes = "binding of c to si interstitial, c in si defects",
4434 author = "A. Nejim and P. L. F. Hemment and J. Stoemenos",
4436 title = "Si{C} buried layer formation by ion beam synthesis at
4440 journal = "Appl. Phys. Lett.",
4443 pages = "2646--2648",
4444 keywords = "SILICON; ION IMPLANTATION; CARBON IONS; SILICON
4445 CARBIDES; BURIED LAYERS; SYNTHESIS; KEV RANGE 100 --
4446 1000; CRYSTAL DEFECTS; MORPHOLOGY; RBS; TRANSMISSION
4447 ELECTRON MICROSCOPY",
4448 URL = "http://link.aip.org/link/?APL/66/2646/1",
4449 doi = "10.1063/1.113112",
4450 notes = "precipitation mechanism by substitutional carbon, si
4451 self interstitials react with further implanted c",
4455 author = "C. Guedj and M. W. Dashiell and L. Kulik and J.
4456 Kolodzey and A. Hairie",
4458 title = "Precipitation of beta-Si{C} in Si[sub 1 - y]{C}[sub y]
4462 journal = "J. Appl. Phys.",
4465 pages = "4631--4633",
4466 keywords = "silicon compounds; precipitation; localised modes;
4467 semiconductor epitaxial layers; infrared spectra;
4468 Fourier transform spectra; thermal stability;
4470 URL = "http://link.aip.org/link/?JAP/84/4631/1",
4471 doi = "10.1063/1.368703",
4472 notes = "coherent 3C-SiC, topotactic, critical coherence size",
4476 author = "R Jones and B J Coomer and P R Briddon",
4477 title = "Quantum mechanical modelling of defects in
4479 journal = "J. Phys.: Condens. Matter",
4483 URL = "http://stacks.iop.org/0953-8984/16/i=27/a=004",
4485 notes = "ab inito dft intro, vibrational modes, c defect in
4490 doi = "10.1103/RevModPhys.61.689",
4493 author = "R. O. Jones and O. Gunnarsson",
4495 URL = "http://link.aps.org/doi/10.1103/RevModPhys.61.689",
4496 publisher = "American Physical Society",
4497 title = "The density functional formalism, its applications and
4500 journal = "Rev. Mod. Phys.",
4502 notes = "dft intro",
4506 author = "S. Y. Park and J. D'Arcy-Gall and D. Gall and J. A. N.
4507 T Soares and Y.-W. Kim and H. Kim and P. Desjardins and
4508 J. E. Greene and S. G. Bishop",
4510 title = "Carbon incorporation pathways and lattice sites in
4511 Si[sub 1 - y]{C}[sub y] alloys grown on Si(001) by
4512 molecular-beam epitaxy",
4515 journal = "J. Appl. Phys.",
4518 pages = "5716--5727",
4519 URL = "http://link.aip.org/link/?JAP/91/5716/1",
4520 doi = "10.1063/1.1465122",
4521 notes = "c substitutional incorporation pathway, dft and expt",
4525 title = "Dynamic properties of interstitial carbon and
4526 carbon-carbon pair defects in silicon",
4527 author = "P. Leary and R. Jones and S. {\"O}berg and V. J. B.
4529 journal = "Phys. Rev. B",
4532 pages = "2188--2194",
4536 doi = "10.1103/PhysRevB.55.2188",
4537 publisher = "American Physical Society",
4538 notes = "ab initio c in si and di-carbon defect, no formation
4539 energies, different migration barriers and paths",
4543 title = "Interstitial carbon and the carbon-carbon pair in
4544 silicon: Semiempirical electronic-structure
4546 author = "Matthew J. Burnard and Gary G. DeLeo",
4547 journal = "Phys. Rev. B",
4550 pages = "10217--10225",
4554 doi = "10.1103/PhysRevB.47.10217",
4555 publisher = "American Physical Society",
4556 notes = "semi empirical mndo, pm3 and mindo3 c in si and di
4557 carbon defect, formation energies",
4561 title = "Electronic structure of interstitial carbon in
4563 author = "Morgan Besson and Gary G. DeLeo",
4564 journal = "Phys. Rev. B",
4567 pages = "4028--4033",
4571 doi = "10.1103/PhysRevB.43.4028",
4572 publisher = "American Physical Society",
4576 title = "Review of atomistic simulations of surface diffusion
4577 and growth on semiconductors",
4578 journal = "Comput. Mater. Sci.",
4583 note = "Proceedings of the Workshop on Virtual Molecular Beam
4586 doi = "DOI: 10.1016/0927-0256(96)00030-4",
4587 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VSFF1G-7/2/afc8408b00ded1ca2dc3ad1686c2dae6",
4588 author = "Efthimios Kaxiras",
4589 notes = "might contain c 100 db formation energy, overview md,
4590 tight binding, first principles",
4593 @Article{kaukonen98,
4594 title = "Effect of {N} and {B} doping on the growth of {CVD}
4596 $(100):{H}(2\ifmmode\times\else\texttimes\fi{}1)$
4598 author = "M. Kaukonen and P. K. Sitch and G. Jungnickel and R.
4599 M. Nieminen and Sami P{\"o}ykk{\"o} and D. Porezag and
4601 journal = "Phys. Rev. B",
4604 pages = "9965--9970",
4608 doi = "10.1103/PhysRevB.57.9965",
4609 publisher = "American Physical Society",
4610 notes = "constrained conjugate gradient relaxation technique
4615 title = "Correlation between the antisite pair and the ${DI}$
4617 author = "A. Gali and P. De\'ak and E. Rauls and N. T. Son and
4618 I. G. Ivanov and F. H. C. Carlsson and E. Janz\'en and
4620 journal = "Phys. Rev. B",
4627 doi = "10.1103/PhysRevB.67.155203",
4628 publisher = "American Physical Society",
4632 title = "Production and recovery of defects in Si{C} after
4633 irradiation and deformation",
4634 journal = "J. Nucl. Mater.",
4637 pages = "1803--1808",
4641 doi = "DOI: 10.1016/S0022-3115(98)00139-1",
4642 URL = "http://www.sciencedirect.com/science/article/B6TXN-43G486N-47/2/56905f48f025ab98e5de4d6cde09c62b",
4643 author = "J. Chen and P. Jung and H. Klein",
4647 title = "Accumulation, dynamic annealing and thermal recovery
4648 of ion-beam-induced disorder in silicon carbide",
4649 journal = "Nucl. Instrum. Methods Phys. Res. B",
4656 doi = "DOI: 10.1016/S0168-583X(00)00542-5",
4657 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KH7Y-2R/2/8acc176700c95bb8614d96c40cfc5577",
4658 author = "W. J. Weber and W. Jiang and S. Thevuthasan",
4661 @Article{bockstedte03,
4662 title = "Ab initio study of the migration of intrinsic defects
4664 author = "Michel Bockstedte and Alexander Mattausch and Oleg
4666 journal = "Phys. Rev. B",
4673 doi = "10.1103/PhysRevB.68.205201",
4674 publisher = "American Physical Society",
4675 notes = "defect migration in sic",
4679 title = "Theoretical study of vacancy diffusion and
4680 vacancy-assisted clustering of antisites in Si{C}",
4681 author = "E. Rauls and Th. Frauenheim and A. Gali and P.
4683 journal = "Phys. Rev. B",
4690 doi = "10.1103/PhysRevB.68.155208",
4691 publisher = "American Physical Society",
4695 journal = "Telegrafiya i Telefoniya bez Provodov",
4699 author = "O. V. Lossev",
4703 title = "Luminous carborundum detector and detection effect and
4704 oscillations with crystals",
4705 journal = "Philos. Mag. Series 7",
4708 pages = "1024--1044",
4710 URL = "http://www.informaworld.com/10.1080/14786441108564683",
4711 author = "O. V. Lossev",
4715 journal = "Physik. Zeitschr.",
4719 author = "O. V. Lossev",
4723 journal = "Physik. Zeitschr.",
4727 author = "O. V. Lossev",
4731 journal = "Physik. Zeitschr.",
4735 author = "O. V. Lossev",
4739 title = "A note on carborundum",
4740 journal = "Electrical World",
4744 author = "H. J. Round",
4747 @Article{vashishath08,
4748 title = "Recent trends in silicon carbide device research",
4749 journal = "Mj. Int. J. Sci. Tech.",
4754 author = "Munish Vashishath and Ashoke K. Chatterjee",
4755 URL = "http://www.doaj.org/doaj?func=abstract&id=286746",
4756 notes = "sic polytype electronic properties",
4760 author = "W. E. Nelson and F. A. Halden and A. Rosengreen",
4762 title = "Growth and Properties of beta-Si{C} Single Crystals",
4765 journal = "J. Appl. Phys.",
4769 URL = "http://link.aip.org/link/?JAP/37/333/1",
4770 doi = "10.1063/1.1707837",
4771 notes = "sic melt growth",
4775 author = "A. E. van Arkel and J. H. de Boer",
4776 title = "Darstellung von reinem Titanium-, Zirkonium-, Hafnium-
4778 publisher = "WILEY-VCH Verlag GmbH",
4780 journal = "Z. Anorg. Chem.",
4783 URL = "http://dx.doi.org/10.1002/zaac.19251480133",
4784 doi = "10.1002/zaac.19251480133",
4785 notes = "van arkel apparatus",
4789 author = "K. Moers",
4791 journal = "Z. Anorg. Chem.",
4794 notes = "sic by van arkel apparatus, pyrolitical vapor growth
4799 author = "J. T. Kendall",
4800 title = "Electronic Conduction in Silicon Carbide",
4803 journal = "J. Chem. Phys.",
4807 URL = "http://link.aip.org/link/?JCP/21/821/1",
4808 notes = "sic by van arkel apparatus, pyrolitical vapor growth
4813 author = "J. A. Lely",
4815 journal = "Ber. Deut. Keram. Ges.",
4818 notes = "lely sublimation growth process",
4821 @Article{knippenberg63,
4822 author = "W. F. Knippenberg",
4824 journal = "Philips Res. Repts.",
4827 notes = "acheson process",
4830 @Article{hoffmann82,
4831 author = "L. Hoffmann and G. Ziegler and D. Theis and C.
4834 title = "Silicon carbide blue light emitting diodes with
4835 improved external quantum efficiency",
4838 journal = "J. Appl. Phys.",
4841 pages = "6962--6967",
4842 keywords = "light emitting diodes; silicon carbides; quantum
4843 efficiency; visible radiation; experimental data;
4844 epitaxy; fabrication; medium temperature; layers;
4845 aluminium; nitrogen; substrates; pn junctions;
4846 electroluminescence; spectra; current density;
4848 URL = "http://link.aip.org/link/?JAP/53/6962/1",
4849 doi = "10.1063/1.330041",
4850 notes = "blue led, sublimation process",
4854 author = "Philip Neudeck",
4855 affiliation = "NASA Lewis Research Center M.S. 77-1, 21000 Brookpark
4856 Road 44135 Cleveland OH",
4857 title = "Progress in silicon carbide semiconductor electronics
4859 journal = "J. Electron. Mater.",
4860 publisher = "Springer Boston",
4862 keyword = "Chemistry and Materials Science",
4866 URL = "http://dx.doi.org/10.1007/BF02659688",
4867 note = "10.1007/BF02659688",
4869 notes = "sic data, advantages of 3c sic",
4872 @InProceedings{pribble02,
4873 author = "W. L. Pribble and J. W. Palmour and S. T. Sheppard and
4874 R. P. Smith and S. T. Allen and T. J. Smith and Z. Ring
4875 and J. J. Sumakeris and A. W. Saxler and J. W.
4877 booktitle = "2002 IEEE MTT-S International Microwave Symposium
4879 title = "Applications of Si{C} {MESFET}s and Ga{N} {HEMT}s in
4880 power amplifier design",
4885 pages = "1819--1822",
4886 doi = "10.1109/MWSYM.2002.1012216",
4891 @InProceedings{temcamani01,
4892 author = "F. Temcamani and P. Pouvil and O. Noblanc and C.
4893 Brylinski and P. Bannelier and B. Darges and J. P.
4895 booktitle = "2001 IEEE MTT-S International Microwave Symposium
4897 title = "Silicon carbide {MESFET}s performances and application
4898 in broadcast power amplifiers",
4904 doi = "10.1109/MWSYM.2001.966976",
4910 author = "Gerhard Pensl and Michael Bassler and Florin Ciobanu
4911 and Valeri Afanas'ev and Hiroshi Yano and Tsunenobu
4912 Kimoto and Hiroyuki Matsunami",
4913 title = "Traps at the Si{C}/Si{O2}-Interface",
4914 journal = "MRS Proc.",
4919 doi = "10.1557/PROC-640-H3.2",
4920 URL = "http://dx.doi.org/10.1557/PROC-640-H3.2",
4923 @Article{bhatnagar93,
4924 author = "M. Bhatnagar and B. J. Baliga",
4925 journal = "IEEE Trans. Electron Devices",
4926 title = "Comparison of 6{H}-Si{C}, 3{C}-Si{C}, and Si for power
4933 keywords = "3C-SiC;50 to 5000 V;6H-SiC;Schottky
4934 rectifiers;Si;SiC;breakdown voltages;drift region
4935 properties;output characteristics;power MOSFETs;power
4936 semiconductor devices;switching characteristics;thermal
4937 analysis;Schottky-barrier diodes;electric breakdown of
4938 solids;insulated gate field effect transistors;power
4939 transistors;semiconductor materials;silicon;silicon
4940 compounds;solid-state rectifiers;thermal analysis;",
4941 doi = "10.1109/16.199372",
4943 notes = "comparison 3c 6h sic and si devices",
4947 author = "Sei-Hyung Ryu and A. K. Agarwal and R. Singh and J. W.
4949 journal = "IEEE Electron Device Lett.",
4950 title = "1800 {V} {NPN} bipolar junction transistors in
4957 keywords = "1800 V;4H-SiC high-voltage n-p-n bipolar junction
4958 transistor;SiC;blocking voltage;current gain;deep level
4959 acceptor;minority carrier lifetime;on-resistance;power
4960 switching device;temperature coefficient;carrier
4961 lifetime;deep levels;minority carriers;power bipolar
4962 transistors;silicon compounds;wide band gap
4964 doi = "10.1109/55.910617",
4969 author = "B. J. Baliga",
4970 journal = "IEEE Trans. Electron Devices",
4971 title = "Trends in power semiconductor devices",
4976 pages = "1717--1731",
4977 keywords = "DMOS technology;GTO;GaAs;IGBT;MOS-gated
4978 devices;MOS-gated thyristors;MPS rectifier;PIN
4979 rectifier;Schottky rectifier;Si;SiC;SiC based
4980 switches;TMBS rectifier;UMOS technology;VMOS
4981 technology;bipolar power transistor;high voltage power
4982 rectifiers;low voltage power rectifiers;power
4983 MOSFET;power losses;power semiconductor devices;power
4984 switch technology;review;semiconductor device
4985 technology;MOS-controlled thyristors;bipolar transistor
4986 switches;field effect transistor switches;gallium
4987 arsenide;insulated gate bipolar transistors;p-i-n
4988 diodes;power bipolar transistors;power field effect
4989 transistors;power semiconductor devices;power
4990 semiconductor diodes;power semiconductor
4991 switches;reviews;silicon;silicon compounds;solid-state
4992 rectifiers;thyristors;",
4993 doi = "10.1109/16.536818",
4997 @Article{bhatnagar92,
4998 author = "M. Bhatnagar and P. K. McLarty and B. J. Baliga",
4999 journal = "IEEE Electron Device Lett.",
5000 title = "Silicon-carbide high-voltage (400 {V}) Schottky
5007 keywords = "1.1 V;25 to 200 C;400 V;6H-SiC;Pt-SiC;Schottky barrier
5009 voltages;characteristics;fabrication;forward I-V
5010 characteristics;forward voltage drop;on-state current
5011 density;rectifiers;reverse I-V characteristics;reverse
5012 recovery characteristics;sharp breakdown;temperature
5013 range;Schottky-barrier diodes;platinum;power
5014 electronics;semiconductor materials;silicon
5015 compounds;solid-state rectifiers;",
5016 doi = "10.1109/55.192814",
5021 author = "P. G. Neudeck and D. J. Larkin and J. E. Starr and J.
5022 A. Powell and C. S. Salupo and L. G. Matus",
5023 journal = "IEEE Trans. Electron Devices",
5024 title = "Electrical properties of epitaxial 3{C}- and
5025 6{H}-Si{C} p-n junction diodes produced side-by-side on
5026 6{H}-Si{C} substrates",
5032 keywords = "20 nA;200 micron;300 to 1100 V;3C-SiC layers;400
5033 C;6H-SiC layers;6H-SiC substrates;CVD
5034 process;SiC;chemical vapor deposition;doping;electrical
5035 properties;epitaxial layers;light
5036 emission;low-tilt-angle 6H-SiC substrates;p-n junction
5037 diodes;polytype;rectification characteristics;reverse
5038 leakage current;reverse voltages;temperature;leakage
5039 currents;power electronics;semiconductor
5040 diodes;semiconductor epitaxial layers;semiconductor
5041 growth;semiconductor materials;silicon
5042 compounds;solid-state rectifiers;substrates;vapour
5043 phase epitaxial growth;",
5044 doi = "10.1109/16.285038",
5046 notes = "comparison 6h 3c sic, cvd of 3c and 6h on single 6h
5051 author = "C. E. Weitzel and J. W. Palmour and Jr. {Carter, C.H.}
5052 and K. Moore and K. K. Nordquist and S. Allen and C.
5053 Thero and M. Bhatnagar",
5054 journal = "IEEE Trans. Electron Devices",
5055 title = "Silicon carbide high-power devices",
5060 pages = "1732--1741",
5061 keywords = "1200 V;1400 V;4H-SiC;500 MHz to 32 GHz;57 W;Schottky
5062 barrier diodes;SiC;SiC devices;UMOSFET;current
5063 density;high electric breakdown field;high saturated
5064 electron drift velocity;high thermal
5065 conductivity;high-power devices;packaged SIT;submicron
5066 gate length MESFET;Schottky diodes;current
5067 density;electric breakdown;power MESFET;power
5068 MOSFET;power semiconductor devices;power semiconductor
5069 diodes;reviews;silicon compounds;static induction
5070 transistors;wide band gap semiconductors;",
5071 doi = "10.1109/16.536819",
5073 notes = "high power devices",
5077 author = "Lin Zhu and T. P. Chow",
5078 journal = "IEEE Trans. Electron Devices",
5079 title = "Advanced High-Voltage 4{H}-Si{C} Schottky Rectifiers",
5084 pages = "1871--1874",
5085 keywords = "H-SiC;OFF-state characteristics;ON-state
5086 characteristics;blocking capability;high-voltage
5087 Schottky rectifier;junction barrier Schottky
5088 rectifier;lateral channel JBS rectifier;leakage
5089 current;pinlike reverse characteristics;Schottky
5090 barriers;Schottky diodes;leakage currents;rectifying
5092 doi = "10.1109/TED.2008.926642",
5097 author = "D. M. Brown and E. T. Downey and M. Ghezzo and J. W.
5098 Kretchmer and R. J. Saia and Y. S. Liu and J. A. Edmond
5099 and G. Gati and J. M. Pimbley and W. E. Schneider",
5100 journal = "IEEE Trans. Electron Devices",
5101 title = "Silicon carbide {UV} photodiodes",
5107 keywords = "200 to 400 nm;6H epitaxial layers;SiC photodiodes;UV
5108 responsivity characteristics;low dark current;low light
5109 level UV detection;quantum
5110 efficiency;reproducibility;reverse current
5111 leakage;short circuit output current;leakage
5112 currents;photodiodes;semiconductor
5113 materials;short-circuit currents;silicon
5114 compounds;ultraviolet detectors;",
5115 doi = "10.1109/16.182509",
5117 notes = "sic photo diodes, uv detector",
5121 author = "Feng Yan and Xiaobin Xin and S. Aslam and Yuegang Zhao
5122 and D. Franz and J. H. Zhao and M. Weiner",
5123 journal = "IEEE J. Quantum Electron.",
5124 title = "4{H}-Si{C} {UV} photo detectors with large area and
5125 very high specific detectivity",
5130 pages = "1315--1320",
5131 keywords = "-1 V; 1.2E-14 A; 210 to 350 nm; 4H-SiC UV
5132 photodetectors; 5 mm; Pt/4H-SiC Schottky photodiodes;
5133 SiC-Pt; leakage current; photoresponse spectra; quantum
5134 efficiency; specific detectivity; Schottky diodes;
5135 photodetectors; platinum; silicon compounds; wide band
5136 gap semiconductors;",
5137 doi = "10.1109/JQE.2004.833196",
5139 notes = "uv detector",
5143 author = "N. Schulze and D. L. Barrett and G. Pensl",
5145 title = "Near-equilibrium growth of micropipe-free 6{H}-Si{C}
5146 single crystals by physical vapor transport",
5149 journal = "Appl. Phys. Lett.",
5152 pages = "1632--1634",
5153 keywords = "silicon compounds; semiconductor materials;
5154 semiconductor growth; crystal growth from vapour;
5155 photoluminescence; Hall mobility",
5156 URL = "http://link.aip.org/link/?APL/72/1632/1",
5157 doi = "10.1063/1.121136",
5158 notes = "micropipe free 6h-sic pvt growth",
5162 author = "F. C. Frank",
5163 title = "Capillary equilibria of dislocated crystals",
5164 journal = "Acta Crystallogr.",
5170 doi = "10.1107/S0365110X51001690",
5171 URL = "http://dx.doi.org/10.1107/S0365110X51001690",
5172 notes = "micropipe",
5176 author = "J. Heindl and H. P. Strunk and V. D. Heydemann and G.
5178 title = "Micropipes: Hollow Tubes in Silicon Carbide",
5179 journal = "phys. status solidi (a)",
5182 publisher = "WILEY-VCH Verlag",
5184 URL = "http://dx.doi.org/10.1002/1521-396X(199707)162:1<251::AID-PSSA251>3.0.CO;2-7",
5185 doi = "10.1002/1521-396X(199707)162:1<251::AID-PSSA251>3.0.CO;2-7",
5188 notes = "micropipe",
5191 @Article{neudeck94_2,
5192 author = "P. G. Neudeck and J. A. Powell",
5193 journal = "IEEE Electron Device Lett.",
5194 title = "Performance limiting micropipe defects in silicon
5201 keywords = "SiC;defect density;device ratings;epitaxially-grown pn
5202 junction devices;micropipe defects;power devices;power
5203 semiconductors;pre-avalanche reverse-bias point
5204 failures;p-n homojunctions;power
5205 electronics;semiconductor materials;silicon
5207 doi = "10.1109/55.285372",
5212 author = "P. Pirouz and C. M. Chorey and J. A. Powell",
5214 title = "Antiphase boundaries in epitaxially grown beta-Si{C}",
5217 journal = "Appl. Phys. Lett.",
5221 keywords = "SILICON CARBIDES; DOMAIN STRUCTURE; SCANNING ELECTRON
5222 MICROSCOPY; NUCLEATION; EPITAXIAL LAYERS; CHEMICAL
5223 VAPOR DEPOSITION; ETCHING; ETCH PITS; TRANSMISSION
5224 ELECTRON MICROSCOPY; ELECTRON MICROSCOPY; ANTIPHASE
5226 URL = "http://link.aip.org/link/?APL/50/221/1",
5227 doi = "10.1063/1.97667",
5228 notes = "apb 3c-sic heteroepitaxy on si",
5231 @Article{shibahara86,
5232 title = "Surface morphology of cubic Si{C}(100) grown on
5233 Si(100) by chemical vapor deposition",
5234 journal = "J. Cryst. Growth",
5241 doi = "DOI: 10.1016/0022-0248(86)90158-2",
5242 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46D26F7-1R/2/cfdbc7607352f3bc99d321303e3934e9",
5243 author = "Kentaro Shibahara and Shigehiro Nishino and Hiroyuki
5245 notes = "defects in 3c-sis cvd on si, anti phase boundaries",
5248 @Article{desjardins96,
5249 author = "P. Desjardins and J. E. Greene",
5251 title = "Step-flow epitaxial growth on two-domain surfaces",
5254 journal = "J. Appl. Phys.",
5257 pages = "1423--1434",
5258 keywords = "ADATOMS; COMPUTERIZED SIMULATION; DIFFUSION; EPITAXY;
5259 FILM GROWTH; SURFACE STRUCTURE",
5260 URL = "http://link.aip.org/link/?JAP/79/1423/1",
5261 doi = "10.1063/1.360980",
5262 notes = "apb model",
5266 author = "S. Henke and B. Stritzker and B. Rauschenbach",
5268 title = "Synthesis of epitaxial beta-Si{C} by {C}[sub 60]
5269 carbonization of silicon",
5272 journal = "J. Appl. Phys.",
5275 pages = "2070--2073",
5276 keywords = "SILICON CARBIDES; THIN FILMS; EPITAXY; CARBONIZATION;
5277 FULLERENES; ANNEALING; XRD; RBS; TWINNING; CRYSTAL
5279 URL = "http://link.aip.org/link/?JAP/78/2070/1",
5280 doi = "10.1063/1.360184",
5281 notes = "ssmbe of sic on si, lower temperatures",
5285 title = "Atomic layer epitaxy of cubic Si{C} by gas source
5286 {MBE} using surface superstructure",
5287 journal = "J. Cryst. Growth",
5294 doi = "DOI: 10.1016/0022-0248(89)90442-9",
5295 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46DFS6F-GF/2/a8e0abaef892c6d96992ff4751fdeda2",
5296 author = "Takashi Fuyuki and Michiaki Nakayama and Tatsuo
5297 Yoshinobu and Hiromu Shiomi and Hiroyuki Matsunami",
5298 notes = "gas source mbe of 3c-sic on 6h-sic",
5301 @Article{yoshinobu92,
5302 author = "Tatsuo Yoshinobu and Hideaki Mitsui and Iwao Izumikawa
5303 and Takashi Fuyuki and Hiroyuki Matsunami",
5305 title = "Lattice-matched epitaxial growth of single crystalline
5306 3{C}-Si{C} on 6{H}-Si{C} substrates by gas source
5307 molecular beam epitaxy",
5310 journal = "Appl. Phys. Lett.",
5314 keywords = "SILICON CARBIDES; HOMOJUNCTIONS; MOLECULAR BEAM
5315 EPITAXY; TWINNING; RHEED; TEMPERATURE EFFECTS;
5316 INTERFACE STRUCTURE",
5317 URL = "http://link.aip.org/link/?APL/60/824/1",
5318 doi = "10.1063/1.107430",
5319 notes = "gas source mbe of 3c-sic on 6h-sic",
5322 @Article{yoshinobu90,
5323 title = "Atomic level control in gas source {MBE} growth of
5325 journal = "J. Cryst. Growth",
5332 doi = "DOI: 10.1016/0022-0248(90)90575-6",
5333 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46YKT9W-HY/2/04dd57af2f42ee620895844e480a2736",
5334 author = "Tatsuo Yoshinobu and Michiaki Nakayama and Hiromu
5335 Shiomi and Takashi Fuyuki and Hiroyuki Matsunami",
5336 notes = "gas source mbe of 3c-sic on 3c-sic",
5340 title = "Atomic layer epitaxy controlled by surface
5341 superstructures in Si{C}",
5342 journal = "Thin Solid Films",
5349 doi = "DOI: 10.1016/0040-6090(93)90159-M",
5350 URL = "http://www.sciencedirect.com/science/article/B6TW0-46NY79X-40/2/c9675e1d8c4bcebc7ce7d06e44e14f1f",
5351 author = "Takashi Fuyuki and Tatsuo Yoshinobu and Hiroyuki
5353 notes = "gas source mbe of 3c-sic on 3c-sic, atomic layer
5358 title = "Microscopic mechanisms of accurate layer-by-layer
5359 growth of [beta]-Si{C}",
5360 journal = "Thin Solid Films",
5367 doi = "DOI: 10.1016/0040-6090(93)90162-I",
5368 URL = "http://www.sciencedirect.com/science/article/B6TW0-46NY79X-43/2/18694bfe0e75b1f29a3cf5f90d19987c",
5369 author = "Shiro Hara and T. Meguro and Y. Aoyagi and M. Kawai
5370 and S. Misawa and E. Sakuma and S. Yoshida",
5371 notes = "gas source mbe of 3c-sic on 3c-sic, atomic layer
5376 author = "Satoru Tanaka and R. Scott Kern and Robert F. Davis",
5378 title = "Effects of gas flow ratio on silicon carbide thin film
5379 growth mode and polytype formation during gas-source
5380 molecular beam epitaxy",
5383 journal = "Appl. Phys. Lett.",
5386 pages = "2851--2853",
5387 keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; RHEED;
5388 TRANSMISSION ELECTRON MICROSCOPY; MORPHOLOGY;
5389 NUCLEATION; COALESCENCE; SURFACE RECONSTRUCTION; GAS
5391 URL = "http://link.aip.org/link/?APL/65/2851/1",
5392 doi = "10.1063/1.112513",
5393 notes = "gas source mbe of 6h-sic on 6h-sic",
5397 author = "T. Fuyuki and T. Hatayama and H. Matsunami",
5398 title = "Heterointerface Control and Epitaxial Growth of
5399 3{C}-Si{C} on Si by Gas Source Molecular Beam Epitaxy",
5400 publisher = "WILEY-VCH Verlag",
5402 journal = "phys. status solidi (b)",
5405 notes = "3c-sic heteroepitaxial growth on si by gsmbe, lower
5410 title = "Initial stage of Si{C} growth on Si(1 0 0) surface",
5411 journal = "J. Cryst. Growth",
5418 doi = "DOI: 10.1016/S0022-0248(97)00391-6",
5419 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3W8STD4-V/2/8de695de037d5e20b8326c4107547918",
5420 author = "T. Takaoka and H. Saito and Y. Igari and I. Kusunoki",
5421 keywords = "Reflection high-energy electron diffraction (RHEED)",
5422 keywords = "Scanning electron microscopy (SEM)",
5423 keywords = "Silicon carbide",
5424 keywords = "Silicon",
5425 keywords = "Island growth",
5426 notes = "lower temperature, 550-700",
5429 @Article{hatayama95,
5430 title = "Low-temperature heteroepitaxial growth of cubic Si{C}
5431 on Si using hydrocarbon radicals by gas source
5432 molecular beam epitaxy",
5433 journal = "J. Cryst. Growth",
5440 doi = "DOI: 10.1016/0022-0248(95)80077-P",
5441 URL = "http://www.sciencedirect.com/science/article/B6TJ6-47RY2F6-1P/2/49acd5c4545dd9fd3486f70a6c25586e",
5442 author = "Tomoaki Hatayama and Yoichiro Tarui and Takashi Fuyuki
5443 and Hiroyuki Matsunami",
5447 author = "Volker Heine and Ching Cheng and Richard J. Needs",
5448 title = "The Preference of Silicon Carbide for Growth in the
5449 Metastable Cubic Form",
5450 journal = "J. Am. Ceram. Soc.",
5453 publisher = "Blackwell Publishing Ltd",
5455 URL = "http://dx.doi.org/10.1111/j.1151-2916.1991.tb06811.x",
5456 doi = "10.1111/j.1151-2916.1991.tb06811.x",
5457 pages = "2630--2633",
5458 keywords = "silicon carbide, crystal growth, crystal structure,
5459 calculations, stability",
5461 notes = "3c-sic metastable, 3c-sic preferred growth, sic
5462 polytype dft calculation refs",
5465 @Article{allendorf91,
5466 title = "The adsorption of {H}-atoms on polycrystalline
5467 [beta]-silicon carbide",
5468 journal = "Surf. Sci.",
5475 doi = "DOI: 10.1016/0039-6028(91)90912-C",
5476 URL = "http://www.sciencedirect.com/science/article/B6TVX-46T3BSB-24V/2/534f1f4786088ceb88b6d31eccb096b3",
5477 author = "Mark D. Allendorf and Duane A. Outka",
5478 notes = "h adsorption on 3c-sic",
5481 @Article{eaglesham93,
5482 author = "D. J. Eaglesham and F. C. Unterwald and H. Luftman and
5483 D. P. Adams and S. M. Yalisove",
5485 title = "Effect of {H} on Si molecular-beam epitaxy",
5488 journal = "J. Appl. Phys.",
5491 pages = "6615--6618",
5492 keywords = "SILICON; MOLECULAR BEAM EPITAXY; HYDROGEN; SURFACE
5493 CONTAMINATION; SIMS; SEGREGATION; IMPURITIES;
5494 DIFFUSION; ADSORPTION",
5495 URL = "http://link.aip.org/link/?JAP/74/6615/1",
5496 doi = "10.1063/1.355101",
5497 notes = "h incorporation on si surface, lower surface
5502 author = "Ronald C. Newman",
5503 title = "Carbon in Crystalline Silicon",
5504 journal = "MRS Proc.",
5509 doi = "10.1557/PROC-59-403",
5510 URL = "http://dx.doi.org/10.1557/PROC-59-403",
5511 eprint = "http://journals.cambridge.org/article_S194642740054367X",
5515 title = "The diffusivity of carbon in silicon",
5516 journal = "J. Phys. Chem. Solids",
5523 doi = "DOI: 10.1016/0022-3697(61)90032-4",
5524 URL = "http://www.sciencedirect.com/science/article/B6TXR-46M72R1-4D/2/9235472e4c0a95bf7b995769474f5fbd",
5525 author = "R. C. Newman and J. Wakefield",
5526 notes = "diffusivity of substitutional c in si",
5530 author = "U. Gösele",
5531 title = "The Role of Carbon and Point Defects in Silicon",
5532 journal = "MRS Proc.",
5537 doi = "10.1557/PROC-59-419",
5538 URL = "http://dx.doi.org/10.1557/PROC-59-419",
5539 eprint = "http://journals.cambridge.org/article_S1946427400543681",
5542 @Article{mukashev82,
5543 title = "Defects in Carbon-Implanted Silicon",
5544 author = "Bulat N. Mukashev and Alexey V. Spitsyn and Noboru
5545 Fukuoka and Haruo Saito",
5546 journal = "Japanese J. Appl. Phys.",
5548 number = "Part 1, No. 2",
5552 URL = "http://jjap.jsap.jp/link?JJAP/21/399/",
5553 doi = "10.1143/JJAP.21.399",
5554 publisher = "The Japan Society of Applied Physics",
5558 title = "Convergence of supercell calculations for point
5559 defects in semiconductors: Vacancy in silicon",
5560 author = "M. J. Puska and S. P{\"o}ykk{\"o} and M. Pesola and R.
5562 journal = "Phys. Rev. B",
5565 pages = "1318--1325",
5569 doi = "10.1103/PhysRevB.58.1318",
5570 publisher = "American Physical Society",
5571 notes = "convergence k point supercell size, vacancy in
5576 author = "C. Serre and A. P\'{e}rez-Rodr\'{\i}guez and A.
5577 Romano-Rodr\'{\i}guez and J. R. Morante and R.
5578 K{\"{o}}gler and W. Skorupa",
5580 title = "Spectroscopic characterization of phases formed by
5581 high-dose carbon ion implantation in silicon",
5584 journal = "J. Appl. Phys.",
5587 pages = "2978--2984",
5588 keywords = "SILICON; ION IMPLANTATION; PHASE STUDIES; CARBON IONS;
5589 FOURIER TRANSFORM SPECTROSCOPY; RAMAN SPECTRA;
5590 PHOTOELECTRON SPECTROSCOPY; TEM; TEMPERATURE
5591 DEPENDENCE; PRECIPITATES; ANNEALING",
5592 URL = "http://link.aip.org/link/?JAP/77/2978/1",
5593 doi = "10.1063/1.358714",
5596 @Article{romano-rodriguez96,
5597 title = "Detailed analysis of [beta]-Si{C} formation by high
5598 dose carbon ion implantation in silicon",
5599 journal = "Materials Science and Engineering B",
5604 note = "European Materials Research Society 1995 Spring
5605 Meeting, Symposium N: Carbon, Hydrogen, Nitrogen, and
5606 Oxygen in Silicon and in Other Elemental
5609 doi = "DOI: 10.1016/0921-5107(95)01283-4",
5610 URL = "http://www.sciencedirect.com/science/article/B6TXF-3VR7691-25/2/995fd57b9e5c1100558f80c472620408",
5611 author = "A. Romano-Rodriguez and C. Serre and L. Calvo-Barrio
5612 and A. Pérez-Rodríguez and J. R. Morante and R. Kögler
5614 keywords = "Silicon",
5615 keywords = "Ion implantation",
5616 notes = "incoherent 3c-sic precipitate",
5619 @Article{davidson75,
5620 title = "The iterative calculation of a few of the lowest
5621 eigenvalues and corresponding eigenvectors of large
5622 real-symmetric matrices",
5623 journal = "J. Comput. Phys.",
5630 doi = "DOI: 10.1016/0021-9991(75)90065-0",
5631 URL = "http://www.sciencedirect.com/science/article/pii/0021999175900650",
5632 author = "Ernest R. Davidson",
5636 title = "Minima Moralia: Reflexionen aus dem besch{\"a}digten
5638 author = "T. W. Adorno",
5639 ISBN = "978-3-518-01236-9",
5640 URL = "http://books.google.com/books?id=coZqRAAACAAJ",
5642 publisher = "Suhrkamp",
5645 @Misc{attenberger03,
5646 author = "Wilfried Attenberger and Jörg Lindner and Bernd
5648 title = "A {method} {for} {forming} {a} {layered}
5649 {semiconductor} {structure} {and} {corresponding}
5654 note = "WO 2003/034484 A3R4",
5656 howpublished = "Patent Application",
5658 filing_num = "EP0211423",
5663 ipc_class = "7B 81C 1/00 B; 7H 01L 21/04 B; 7H 01L 21/265 B; 7H 01L
5664 21/322 B; 7H 01L 21/324 B; 7H 01L 21/74 A; 7H 01L
5665 21/762 B; 7H 01L 29/165 B; 7H 01L 33/00 B",
5667 abstract = "The following invention provides a method for forming
5668 a layered semiconductor structure having a layer (5) of
5669 a first semiconductor material on a substrate (1; 1')
5670 of at least one second semiconductor material,
5671 comprising the steps of: providing said substrate (1;
5672 1'); burying said layer (5) of said first semiconductor
5673 material in said substrate (1; 1'), said buried layer
5674 (5) having an upper surface (105) and a lower surface
5675 (105) and dividing said substrate (1; 1') into an upper
5676 part (1a) and a lower part (1b; 1b', 1c); creating a
5677 buried damage layer (10; 10'; 10'', 100'') which at
5678 least partly adjoins and/or at least partly includes
5679 said upper surface (105) of said buried layer (5); and
5680 removing said upper part (1a) of said substrate (1; 1')
5681 and said buried damage layer (10; 10'; 10'', 100'') for
5682 exposing said buried layer (5). The invention also
5683 provides a corresponding layered semiconductor
5688 author = "Alex Zunger",
5689 title = "Pseudopotential Theory of Semiconductor Quantum Dots",
5690 journal = "phys. status solidi (b)",
5693 publisher = "WILEY-VCH Verlag Berlin GmbH",
5695 URL = "http://dx.doi.org/10.1002/(SICI)1521-3951(200104)224:3<727::AID-PSSB727>3.0.CO;2-9",
5696 doi = "10.1002/(SICI)1521-3951(200104)224:3<727::AID-PSSB727>3.0.CO;2-9",
5698 keywords = "71.15.Dx, 73.21.La, S5.11, S5.12, S7.11, S7.12, S8.11,
5701 notes = "configuration-interaction method, ci",
5705 author = "Alex Zunger",
5706 title = "On the Farsightedness (hyperopia) of the Standard k ·
5708 journal = "phys. status solidi (a)",
5711 publisher = "WILEY-VCH Verlag Berlin GmbH",
5713 URL = "http://dx.doi.org/10.1002/1521-396X(200204)190:2<467::AID-PSSA467>3.0.CO;2-4",
5714 doi = "10.1002/1521-396X(200204)190:2<467::AID-PSSA467>3.0.CO;2-4",
5716 keywords = "73.20.At, 73.21.Cd, 73.21.La, 73.22.¿b, 78.20.Bh",
5720 @Article{robertson90,
5721 author = "I. J. Robertson and M. C. Payne",
5722 title = "k-point sampling and the k.p method in pseudopotential
5723 total energy calculations",
5724 journal = "Journal of Physics: Condensed Matter",
5728 URL = "http://stacks.iop.org/0953-8984/2/i=49/a=010",
5730 notes = "kp method",
5735 journal = "Phys. Rev. B",
5736 author = "Bj{\"o}rn Lange and Christoph Freysoldt and J{\"o}rg
5739 URL = "http://link.aps.org/doi/10.1103/PhysRevB.84.085101",
5740 doi = "10.1103/PhysRevB.84.085101",
5742 title = "Construction and performance of fully numerical
5743 optimum atomic basis sets",
5745 publisher = "American Physical Society",
5748 notes = "quamol, basis set, for planc",
5753 journal = "Phys. Rev. A",
5754 author = "Emilio Artacho and Lorenzo Mil\'ans del Bosch",
5756 URL = "http://link.aps.org/doi/10.1103/PhysRevA.43.5770",
5757 doi = "10.1103/PhysRevA.43.5770",
5759 title = "Nonorthogonal basis sets in quantum mechanics:
5760 Representations and second quantization",
5762 publisher = "American Physical Society",
5763 pages = "5770--5777",
5764 notes = "non-orthogonal basis set",
5768 author = "E. Artacho and D. Sánchez-Portal and P. Ordejón and
5769 A. García and J. M. Soler",
5770 title = "Linear-Scaling ab-initio Calculations for Large and
5772 journal = "physica status solidi (b)",
5775 publisher = "WILEY-VCH Verlag",
5777 URL = "http://dx.doi.org/10.1002/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0.CO;2-0",
5778 doi = "10.1002/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0.CO;2-0",
5784 author = "Per-Olov L{\"{o}}wdin",
5786 title = "On the Non-Orthogonality Problem Connected with the
5787 Use of Atomic Wave Functions in the Theory of Molecules
5791 journal = "The Journal of Chemical Physics",
5795 URL = "http://link.aip.org/link/?JCP/18/365/1",
5796 doi = "10.1063/1.1747632",
5797 notes = "non orthogonal basis set",
5801 author = "Per-Olov Löwdin",
5802 title = "Studies in perturbation theory {XIII}. Treatment of
5803 constants of motion in resolvent method, partitioning
5804 technique, and perturbation theory",
5805 journal = "International Journal of Quantum Chemistry",
5808 publisher = "John Wiley & Sons, Inc.",
5810 URL = "http://dx.doi.org/10.1002/qua.560020612",
5811 doi = "10.1002/qua.560020612",
5818 journal = "Phys. Rev. B",
5819 author = "D. J. Chadi",
5821 URL = "http://link.aps.org/doi/10.1103/PhysRevB.16.3572",
5822 doi = "10.1103/PhysRevB.16.3572",
5824 title = "Localized-orbital description of wave functions and
5825 energy bands in semiconductors",
5827 publisher = "American Physical Society",
5828 pages = "3572--3578",
5829 notes = "localized orbitals",
5834 journal = "Phys. Rev.",
5835 author = "E. Wigner and F. Seitz",
5837 URL = "http://link.aps.org/doi/10.1103/PhysRev.43.804",
5838 doi = "10.1103/PhysRev.43.804",
5840 title = "On the Constitution of Metallic Sodium",
5842 publisher = "American Physical Society",
5844 notes = "wigner seitz method",
5849 journal = "Phys. Rev.",
5850 author = "Conyers Herring",
5852 URL = "http://link.aps.org/doi/10.1103/PhysRev.57.1169",
5853 doi = "10.1103/PhysRev.57.1169",
5855 title = "A New Method for Calculating Wave Functions in
5858 publisher = "American Physical Society",
5859 pages = "1169--1177",
5860 notes = "orthogonalized plane wave method, opw",
5865 journal = "Phys. Rev.",
5866 author = "J. C. Slater",
5868 URL = "http://link.aps.org/doi/10.1103/PhysRev.92.603",
5869 doi = "10.1103/PhysRev.92.603",
5871 title = "An Augmented Plane Wave Method for the Periodic
5874 publisher = "American Physical Society",
5876 notes = "augmented plane wave method",
5879 @Article{phillips59,
5881 journal = "Phys. Rev.",
5882 author = "James C. Phillips and Leonard Kleinman",
5884 URL = "http://link.aps.org/doi/10.1103/PhysRev.116.287",
5885 doi = "10.1103/PhysRev.116.287",
5887 title = "New Method for Calculating Wave Functions in Crystals
5890 publisher = "American Physical Society",
5892 notes = "pseudo potential",
5897 journal = "Phys. Rev.",
5898 author = "B. J. Austin and V. Heine and L. J. Sham",
5900 URL = "http://link.aps.org/doi/10.1103/PhysRev.127.276",
5901 doi = "10.1103/PhysRev.127.276",
5903 title = "General Theory of Pseudopotentials",
5905 publisher = "American Physical Society",
5907 notes = "most general form of pseudo potential",
5912 journal = "Phys. Rev. B",
5913 author = "Xavier Gonze and Roland Stumpf and Matthias
5916 URL = "http://link.aps.org/doi/10.1103/PhysRevB.44.8503",
5917 doi = "10.1103/PhysRevB.44.8503",
5919 title = "Analysis of separable potentials",
5921 publisher = "American Physical Society",
5922 pages = "8503--8513",
5926 title = "{ABINIT}: First-principles approach to material and
5927 nanosystem properties",
5928 journal = "Computer Physics Communications",
5931 pages = "2582--2615",
5934 doi = "http://dx.doi.org/10.1016/j.cpc.2009.07.007",
5935 URL = "http://www.sciencedirect.com/science/article/pii/S0010465509002276",
5936 author = "X. Gonze and B. Amadon and P.-M. Anglade and J.-M.
5937 Beuken and F. Bottin and P. Boulanger and F. Bruneval
5938 and D. Caliste and R. Caracas and M. Côté and T.
5939 Deutsch and L. Genovese and Ph. Ghosez and M.
5940 Giantomassi and S. Goedecker and D. R. Hamann and P.
5941 Hermet and F. Jollet and G. Jomard and S. Leroux and M.
5942 Mancini and S. Mazevet and M. J. T. Oliveira and G.
5943 Onida and Y. Pouillon and T. Rangel and G.-M. Rignanese
5944 and D. Sangalli and R. Shaltaf and M. Torrent and M. J.
5945 Verstraete and G. Zerah and J. W. Zwanziger",
5950 journal = "Phys. Rev.",
5951 author = "Gregory H. Wannier",
5953 URL = "http://link.aps.org/doi/10.1103/PhysRev.52.191",
5954 doi = "10.1103/PhysRev.52.191",
5956 title = "The Structure of Electronic Excitation Levels in
5957 Insulating Crystals",
5959 publisher = "American Physical Society",
5965 journal = "Phys. Rev. B",
5966 author = "Nicola Marzari and David Vanderbilt",
5968 URL = "http://link.aps.org/doi/10.1103/PhysRevB.56.12847",
5969 doi = "10.1103/PhysRevB.56.12847",
5971 title = "Maximally localized generalized Wannier functions for
5972 composite energy bands",
5974 publisher = "American Physical Society",
5975 pages = "12847--12865",
5976 notes = "maximal general localized wannier orbitals",
5980 author = "P. A. M. Dirac",
5981 title = "The Quantum Theory of the Electron",
5986 doi = "10.1098/rspa.1928.0023",
5987 URL = "http://rspa.royalsocietypublishing.org/content/117/778/610.short",
5988 eprint = "http://rspa.royalsocietypublishing.org/content/117/778/610.full.pdf+html",
5989 journal = "Proceedings of the Royal Society of London. Series A",
5990 notes = "spin orbit origin, relativistic quantum theory",
5993 @Article{kleinman80,
5994 title = "Relativistic norm-conserving pseudopotential",
5995 author = "Leonard Kleinman",
5996 journal = "Phys. Rev. B",
5999 pages = "2630--2631",
6002 doi = "10.1103/PhysRevB.21.2630",
6003 URL = "http://link.aps.org/doi/10.1103/PhysRevB.21.2630",
6004 publisher = "American Physical Society",
6005 notes = "first relativistic pseudopotential",
6008 @Article{bachelet82,
6009 title = "Relativistic norm-conserving pseudopotentials",
6010 author = "Giovanni B. Bachelet and M. Schl{\"u}ter",
6011 journal = "Phys. Rev. B",
6014 pages = "2103--2108",
6017 doi = "10.1103/PhysRevB.25.2103",
6018 URL = "http://link.aps.org/doi/10.1103/PhysRevB.25.2103",
6019 publisher = "American Physical Society",
6022 @Article{hybertsen86,
6023 title = "Spin-orbit splitting in semiconductors and insulators
6024 from the \textit{ab initio} pseudopotential",
6025 author = "Mark S. Hybertsen and Steven G. Louie",
6026 journal = "Phys. Rev. B",
6029 pages = "2920--2922",
6032 doi = "10.1103/PhysRevB.34.2920",
6033 URL = "http://link.aps.org/doi/10.1103/PhysRevB.34.2920",
6034 publisher = "American Physical Society",
6035 notes = "spin orbit pseudopotential formulation",
6039 title = "Relativistic band structure and spin-orbit splitting
6040 of zinc-blende-type semiconductors",
6041 author = "M. Cardona and N. E. Christensen and G. Fasol",
6042 journal = "Phys. Rev. B",
6045 pages = "1806--1827",
6048 doi = "10.1103/PhysRevB.38.1806",
6049 URL = "http://link.aps.org/doi/10.1103/PhysRevB.38.1806",
6050 publisher = "American Physical Society",
6051 notes = "fully relativistic band structures of zinc blende
6055 @Article{hemstreet93,
6056 title = "First-principles calculations of spin-orbit splittings
6057 in solids using nonlocal separable pseudopotentials",
6058 author = "L. A. Hemstreet and C. Y. Fong and J. S. Nelson",
6059 journal = "Phys. Rev. B",
6062 pages = "4238--4243",
6065 doi = "10.1103/PhysRevB.47.4238",
6066 URL = "http://link.aps.org/doi/10.1103/PhysRevB.47.4238",
6067 publisher = "American Physical Society",
6071 title = "Real-space pseudopotential method for spin-orbit
6072 coupling within density functional theory",
6073 author = "Doron Naveh and Leeor Kronik and Murilo L. Tiago and
6074 James R. Chelikowsky",
6075 journal = "Phys. Rev. B",
6082 doi = "10.1103/PhysRevB.76.153407",
6083 URL = "http://link.aps.org/doi/10.1103/PhysRevB.76.153407",
6084 publisher = "American Physical Society",
6085 notes = "real space spin orbit pseudopotential implementation",
6088 @Article{verstraete08,
6089 title = "Density functional perturbation theory with spin-orbit
6090 coupling: Phonon band structure of lead",
6091 author = "Matthieu J. Verstraete and Marc Torrent and
6092 Fran\mbox{\c{c}}ois Jollet and Gilles Z\'erah and
6094 journal = "Phys. Rev. B",
6101 doi = "10.1103/PhysRevB.78.045119",
6102 URL = "http://link.aps.org/doi/10.1103/PhysRevB.78.045119",
6103 publisher = "American Physical Society",
6106 @Article{cuadrado12,
6107 author = "R. Cuadrado and J. I. Cerdá",
6108 title = "Fully relativistic pseudopotential formalism under an
6109 atomic orbital basis: spin-orbit splittings and
6110 magnetic anisotropies",
6111 journal = "Journal of Physics: Condensed Matter",
6115 URL = "http://stacks.iop.org/0953-8984/24/i=8/a=086005",
6120 title = "Parallel Empirical Pseudopotential Electronic
6121 Structure Calculations for Million Atom Systems",
6122 journal = "Journal of Computational Physics",
6129 doi = "http://dx.doi.org/10.1006/jcph.2000.6440",
6130 URL = "http://www.sciencedirect.com/science/article/pii/S0021999100964404",
6131 author = "A. Canning and L. W. Wang and A. Williamson and A.
6135 @Article{oliveira08,
6136 title = "Generating relativistic pseudo-potentials with
6137 explicit incorporation of semi-core states using {APE},
6138 the Atomic Pseudo-potentials Engine",
6139 journal = "Computer Physics Communications",
6146 doi = "http://dx.doi.org/10.1016/j.cpc.2007.11.003",
6147 URL = "http://www.sciencedirect.com/science/article/pii/S0010465507004651",
6148 author = "Micael J. T. Oliveira and Fernando Nogueira",
6149 keywords = "Pseudo-potential",
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