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{zirkelbach14,
1687 author = "F. Zirkelbach and P.-Y. Prodhomme and P. Han and R.
1688 Cherian and G. Bester",
1689 title = "Large-scale Atomic Effective Pseudopotential Program
1690 ({LATEPP}) including an efficient spin-orbit coupling
1691 treatment in real space",
1692 journal = "to be published",
1694 abstract = "Within the scheme of the {\em Large-scale Atomic
1695 Effective Pseudopotential Program}, the Schr{\"o}dinger
1696 equation of an electronic system is solved within an
1697 effective single-particle approach. Although not
1698 limited to, it focuses on the recently introduced
1699 atomic effective pseudopotentials derived from screened
1700 local effective crystal potentials as obtained from
1701 self-consistent density functional theory calculations.
1702 Plane waves are used to expand the wavefunctions. The
1703 problem can be solved in both, real and reciprocal
1704 space. Using atomic effective pseudopotentials, a
1705 self-consistency cycle is not required, which
1706 drastically reduces the computational effort.
1707 Furthermore, without having to find a self-consistent
1708 solution, which would require the determination of all
1709 eigenstates, iterative solvers can be used to focus
1710 only on a few eigenstates in the vicinity of a
1711 reference energy, e.g.\ around the band gap of a
1712 semiconductor. Hence, this approach is particularly
1713 well suited for theoretical investigations of the
1714 electronic structure of semiconductor nanostructures
1715 consisting of up to several thousands of atoms.
1716 Moreover, a novel and efficient real space treatment of
1717 spin-orbit coupling within the pseudopotential
1718 framework is proposed in this work allowing for a fully
1719 relativistic description.",
1723 author = "J. K. N. Lindner and A. Frohnwieser and B.
1724 Rauschenbach and B. Stritzker",
1725 title = "ke{V}- and Me{V}- Ion Beam Synthesis of Buried Si{C}
1727 journal = "MRS Proc.",
1732 doi = "10.1557/PROC-354-171",
1733 URL = "http://dx.doi.org/10.1557/PROC-354-171",
1734 notes = "first time ibs at moderate temperatures",
1738 title = "Formation of buried epitaxial silicon carbide layers
1739 in silicon by ion beam synthesis",
1740 journal = "Mater. Chem. Phys.",
1747 doi = "DOI: 10.1016/S0254-0584(97)80008-9",
1748 URL = "http://www.sciencedirect.com/science/article/B6TX4-3VSGY9S-8/2/f001f23c0b3bc0fc3fc683616588fbc7",
1749 author = "J. K. N. Lindner and K. Volz and U. Preckwinkel and B.
1750 Götz and A. Frohnwieser and B. Rauschenbach and B.
1752 notes = "dose window",
1755 @Article{calcagno96,
1756 title = "Carbon clustering in Si[sub 1-x]{C}[sub x] formed by
1758 journal = "Nucl. Instrum. Methods Phys. Res. B",
1763 note = "Proceedings of the E-MRS '96 Spring Meeting Symp. I on
1764 New Trends in Ion Beam Processing of Materials",
1766 doi = "DOI: 10.1016/S0168-583X(96)00492-2",
1767 URL = "http://www.sciencedirect.com/science/article/B6TJN-3VSHB0W-1S/2/164b9f4f972a02f44b341b0de28bba1d",
1768 author = "L. Calcagno and G. Compagnini and G. Foti and M. G.
1769 Grimaldi and P. Musumeci",
1770 notes = "dose window, graphitic bonds",
1774 title = "Mechanisms of Si{C} Formation in the Ion Beam
1775 Synthesis of 3{C}-Si{C} Layers in Silicon",
1776 journal = "Mater. Sci. Forum",
1781 doi = "10.4028/www.scientific.net/MSF.264-268.215",
1782 URL = "http://www.scientific.net/MSF.264-268.215",
1783 author = "J. K. N. Lindner and W. Reiber and B. Stritzker",
1784 notes = "intermediate temperature for sharp interface + good
1789 title = "Controlling the density distribution of Si{C}
1790 nanocrystals for the ion beam synthesis of buried Si{C}
1792 journal = "Nucl. Instrum. Methods Phys. Res. B",
1799 doi = "DOI: 10.1016/S0168-583X(98)00598-9",
1800 URL = "http://www.sciencedirect.com/science/article/B6TJN-3YMWWDY-1H/2/ad53e614f783b2a7474aecb936dd0169",
1801 author = "J. K. N. Lindner and B. Stritzker",
1802 notes = "two-step implantation process",
1805 @Article{lindner99_2,
1806 title = "Mechanisms in the ion beam synthesis of Si{C} layers
1808 journal = "Nucl. Instrum. Methods Phys. Res. B",
1814 doi = "DOI: 10.1016/S0168-583X(98)00787-3",
1815 URL = "http://www.sciencedirect.com/science/article/B6TJN-3XGFSSH-3H/2/17d138baa6db68cb279e6de9161e5f85",
1816 author = "J. K. N. Lindner and B. Stritzker",
1817 notes = "3c-sic precipitation model, c-si dimers (dumbbells)",
1821 title = "Ion beam synthesis of buried Si{C} layers in silicon:
1822 Basic physical processes",
1823 journal = "Nucl. Instrum. Methods Phys. Res. B",
1830 doi = "DOI: 10.1016/S0168-583X(01)00504-3",
1831 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KG96-8/2/f222574d8945c3fd7aaf9ae1efdd37b3",
1832 author = "J{\"{o}}rg K. N. Lindner",
1836 title = "High-dose carbon implantations into silicon:
1837 fundamental studies for new technological tricks",
1838 author = "J. K. N. Lindner",
1839 journal = "Appl. Phys. A",
1843 doi = "10.1007/s00339-002-2062-8",
1844 notes = "ibs, burried sic layers",
1848 title = "On the balance between ion beam induced nanoparticle
1849 formation and displacive precipitate resolution in the
1851 journal = "Mater. Sci. Eng., C",
1856 note = "Current Trends in Nanoscience - from Materials to
1859 doi = "DOI: 10.1016/j.msec.2005.09.099",
1860 URL = "http://www.sciencedirect.com/science/article/B6TXG-4HSXVVM-1/2/5b0e351198cc2e8f5f4446a80a73d04a",
1861 author = "J. K. N. Lindner and M. H{\"a}berlen and G. Thorwarth
1863 notes = "c int diffusion barrier",
1866 @Article{haeberlen10,
1867 title = "Structural characterization of cubic and hexagonal
1868 Ga{N} thin films grown by {IBA}-{MBE} on Si{C}/Si",
1869 journal = "Journal of Crystal Growth",
1876 doi = "10.1016/j.jcrysgro.2009.12.048",
1877 URL = "http://www.sciencedirect.com/science/article/pii/S0022024809011452",
1878 author = "M. H{\"a}berlen and J. W. Gerlach and B. Murphy and J.
1879 K. N. Lindner and B. Stritzker",
1883 title = "Ion beam synthesis of 3{C}-Si{C} layers in Si and its
1884 application in buffer layer for Ga{N} epitaxial
1886 journal = "Appl. Surf. Sci.",
1891 note = "APHYS'03 Special Issue",
1893 doi = "DOI: 10.1016/j.apsusc.2004.05.199",
1894 URL = "http://www.sciencedirect.com/science/article/B6THY-4CTTNGX-B/2/d24ee637db87f3f1a6ef7fe6820f267c",
1895 author = "Y. Ito and T. Yamauchi and A. Yamamoto and M. Sasase
1896 and S. Nishio and K. Yasuda and Y. Ishigami",
1897 notes = "gan on 3c-sic, focus on ibs of 3c-sic",
1900 @Article{yamamoto04,
1901 title = "Organometallic vapor phase epitaxial growth of Ga{N}
1902 on a 3c-Si{C}/Si(1 1 1) template formed by {C}+-ion
1903 implantation into Si(1 1 1) substrate",
1904 journal = "J. Cryst. Growth",
1909 note = "Proceedings of the 11th Biennial (US) Workshop on
1910 Organometallic Vapor Phase Epitaxy (OMVPE)",
1912 doi = "DOI: 10.1016/j.jcrysgro.2003.11.041",
1913 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4B5BFSX-2/2/55e79e024f2a23b487d19c6fd8dbf166",
1914 author = "A. Yamamoto and T. Yamauchi and T. Tanikawa and M.
1915 Sasase and B. K. Ghosh and A. Hashimoto and Y. Ito",
1916 notes = "gan on 3c-sic",
1920 title = "Substrates for gallium nitride epitaxy",
1921 journal = "Mater. Sci. Eng., R",
1928 doi = "DOI: 10.1016/S0927-796X(02)00008-6",
1929 URL = "http://www.sciencedirect.com/science/article/B6TXH-45DFBSV-2/2/38c47e77fa91f23f8649a044e7135401",
1930 author = "L. Liu and J. H. Edgar",
1931 notes = "gan substrates",
1934 @Article{takeuchi91,
1935 title = "Growth of single crystalline Ga{N} film on Si
1936 substrate using 3{C}-Si{C} as an intermediate layer",
1937 journal = "J. Cryst. Growth",
1944 doi = "DOI: 10.1016/0022-0248(91)90817-O",
1945 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46FJ525-TY/2/7bb50016a50b1dd1dbc36b43c46b3140",
1946 author = "Tetsuya Takeuchi and Hiroshi Amano and Kazumasa
1947 Hiramatsu and Nobuhiko Sawaki and Isamu Akasaki",
1948 notes = "gan on 3c-sic (first time?)",
1952 author = "B. J. Alder and T. E. Wainwright",
1953 title = "Phase Transition for a Hard Sphere System",
1956 journal = "J. Chem. Phys.",
1959 pages = "1208--1209",
1960 URL = "http://link.aip.org/link/?JCP/27/1208/1",
1961 doi = "10.1063/1.1743957",
1965 author = "B. J. Alder and T. E. Wainwright",
1966 title = "Studies in Molecular Dynamics. {I}. General Method",
1969 journal = "J. Chem. Phys.",
1973 URL = "http://link.aip.org/link/?JCP/31/459/1",
1974 doi = "10.1063/1.1730376",
1977 @Article{horsfield96,
1978 title = "Bond-order potentials: Theory and implementation",
1979 author = "A. P. Horsfield and A. M. Bratkovsky and M. Fearn and
1980 D. G. Pettifor and M. Aoki",
1981 journal = "Phys. Rev. B",
1984 pages = "12694--12712",
1988 doi = "10.1103/PhysRevB.53.12694",
1989 publisher = "American Physical Society",
1993 title = "Empirical chemical pseudopotential theory of molecular
1994 and metallic bonding",
1995 author = "G. C. Abell",
1996 journal = "Phys. Rev. B",
1999 pages = "6184--6196",
2003 doi = "10.1103/PhysRevB.31.6184",
2004 publisher = "American Physical Society",
2007 @Article{tersoff_si1,
2008 title = "New empirical model for the structural properties of
2010 author = "J. Tersoff",
2011 journal = "Phys. Rev. Lett.",
2018 doi = "10.1103/PhysRevLett.56.632",
2019 publisher = "American Physical Society",
2023 title = "Development of a many-body Tersoff-type potential for
2025 author = "Brian W. Dodson",
2026 journal = "Phys. Rev. B",
2029 pages = "2795--2798",
2033 doi = "10.1103/PhysRevB.35.2795",
2034 publisher = "American Physical Society",
2037 @Article{tersoff_si2,
2038 title = "New empirical approach for the structure and energy of
2040 author = "J. Tersoff",
2041 journal = "Phys. Rev. B",
2044 pages = "6991--7000",
2048 doi = "10.1103/PhysRevB.37.6991",
2049 publisher = "American Physical Society",
2052 @Article{tersoff_si3,
2053 title = "Empirical interatomic potential for silicon with
2054 improved elastic properties",
2055 author = "J. Tersoff",
2056 journal = "Phys. Rev. B",
2059 pages = "9902--9905",
2063 doi = "10.1103/PhysRevB.38.9902",
2064 publisher = "American Physical Society",
2068 title = "Empirical Interatomic Potential for Carbon, with
2069 Applications to Amorphous Carbon",
2070 author = "J. Tersoff",
2071 journal = "Phys. Rev. Lett.",
2074 pages = "2879--2882",
2078 doi = "10.1103/PhysRevLett.61.2879",
2079 publisher = "American Physical Society",
2083 title = "Modeling solid-state chemistry: Interatomic potentials
2084 for multicomponent systems",
2085 author = "J. Tersoff",
2086 journal = "Phys. Rev. B",
2089 pages = "5566--5568",
2093 doi = "10.1103/PhysRevB.39.5566",
2094 publisher = "American Physical Society",
2098 title = "Carbon defects and defect reactions in silicon",
2099 author = "J. Tersoff",
2100 journal = "Phys. Rev. Lett.",
2103 pages = "1757--1760",
2107 doi = "10.1103/PhysRevLett.64.1757",
2108 publisher = "American Physical Society",
2112 title = "Point defects and dopant diffusion in silicon",
2113 author = "P. M. Fahey and P. B. Griffin and J. D. Plummer",
2114 journal = "Rev. Mod. Phys.",
2121 doi = "10.1103/RevModPhys.61.289",
2122 publisher = "American Physical Society",
2126 title = "Silicon carbide: synthesis and processing",
2127 journal = "Nucl. Instrum. Methods Phys. Res. B",
2132 note = "Radiation Effects in Insulators",
2134 doi = "DOI: 10.1016/0168-583X(96)00065-1",
2135 URL = "http://www.sciencedirect.com/science/article/B6TJN-3VXHNFT-C7/2/4216cb1ec9e422c22de5fed7360fb06e",
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2140 author = "R. F. Davis and G. Kelner and M. Shur and J. W.
2141 Palmour and J. A. Edmond",
2142 journal = "Proc. IEEE",
2143 title = "Thin film deposition and microelectronic and
2144 optoelectronic device fabrication and characterization
2145 in monocrystalline alpha and beta silicon carbide",
2151 keywords = "HBT;LED;MESFET;MOSFET;Schottky contacts;Schottky
2152 diode;SiC;dry etching;electrical
2153 contacts;etching;impurity incorporation;optoelectronic
2154 device fabrication;solid-state devices;surface
2155 chemistry;Schottky effect;Schottky gate field effect
2156 transistors;Schottky-barrier
2157 diodes;etching;heterojunction bipolar
2158 transistors;insulated gate field effect
2159 transistors;light emitting diodes;semiconductor
2160 materials;semiconductor thin films;silicon compounds;",
2161 doi = "10.1109/5.90132",
2163 notes = "sic growth methods",
2167 author = "H. Morko\c{c} and S. Strite and G. B. Gao and M. E.
2168 Lin and B. Sverdlov and M. Burns",
2170 title = "Large-band-gap Si{C}, {III}-{V} nitride, and {II}-{VI}
2171 ZnSe-based semiconductor device technologies",
2174 journal = "J. Appl. Phys.",
2177 pages = "1363--1398",
2178 keywords = "SEMICONDUCTOR DEVICES; SILICON CARBIDES; GALLIUM
2179 NITRIDES; ZINC SELENIDES; SUBSTRATES; MOS JUNCTIONS;
2180 LASER MATERIALS; MATERIALS; REVIEWS; ENERGY GAP; THIN
2182 URL = "http://link.aip.org/link/?JAP/76/1363/1",
2183 doi = "10.1063/1.358463",
2184 notes = "sic intro, properties",
2188 author = "Noch Unbekannt",
2189 title = "How to find references",
2190 journal = "Journal of Applied References",
2197 title = "Atomistic simulation of thermomechanical properties of
2199 author = "Meijie Tang and Sidney Yip",
2200 journal = "Phys. Rev. B",
2203 pages = "15150--15159",
2206 doi = "10.1103/PhysRevB.52.15150",
2207 notes = "modified tersoff, scale cutoff with volume, promising
2208 tersoff reparametrization",
2209 publisher = "American Physical Society",
2213 title = "Silicon carbide as a new {MEMS} technology",
2214 journal = "Seonsor. Actuator. A",
2220 doi = "DOI: 10.1016/S0924-4247(99)00335-0",
2221 URL = "http://www.sciencedirect.com/science/article/B6THG-406VM55-13/2/75385a587669b215d9ef88029a93fd59",
2222 author = "Pasqualina M. Sarro",
2224 keywords = "Silicon carbide",
2225 keywords = "Micromachining",
2226 keywords = "Mechanical stress",
2230 title = "Status of silicon carbide (Si{C}) as a wide-bandgap
2231 semiconductor for high-temperature applications: {A}
2233 journal = "Solid-State Electron.",
2236 pages = "1409--1422",
2239 doi = "DOI: 10.1016/0038-1101(96)00045-7",
2240 URL = "http://www.sciencedirect.com/science/article/B6TY5-3VSR9J0-1/2/a871c11636e937dc45bfdf48e29f725b",
2241 author = "J. B. Casady and R. W. Johnson",
2242 notes = "sic intro",
2245 @Article{giancarli98,
2246 title = "Design requirements for Si{C}/Si{C} composites
2247 structural material in fusion power reactor blankets",
2248 journal = "Fusion Eng. Des.",
2254 doi = "DOI: 10.1016/S0920-3796(97)00200-7",
2255 URL = "http://www.sciencedirect.com/science/article/B6V3C-3V8RYK8-T/2/16949194114900fd1330f79892d7a7be",
2256 author = "L. Giancarli and J. P. Bonal and A. Caso and G. Le
2257 Marois and N. B. Morley and J. F. Salavy",
2261 title = "Electrical and optical characterization of Si{C}",
2262 journal = "Physica B",
2268 doi = "DOI: 10.1016/0921-4526(93)90249-6",
2269 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8HRX-99/2/eab9398bf2bbf10df3ae42c2ab28a776",
2270 author = "G. Pensl and W. J. Choyke",
2274 title = "Investigation of growth processes of ingots of silicon
2275 carbide single crystals",
2276 journal = "J. Cryst. Growth",
2281 notes = "modified lely process",
2283 doi = "DOI: 10.1016/0022-0248(78)90169-0",
2284 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BY2NR-7S/2/fa6fee78ebd8322491f6366e72d5b6dc",
2285 author = "Yu. M. Tairov and V. F. Tsvetkov",
2289 title = "General principles of growing large-size single
2290 crystals of various silicon carbide polytypes",
2291 journal = "J. Cryst. Growth",
2298 doi = "DOI: 10.1016/0022-0248(81)90184-6",
2299 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46FVMF6-2Y/2/b7c4025f0ef07ceec37fbd596819d529",
2300 author = "Yu.M. Tairov and V. F. Tsvetkov",
2304 title = "Si{C} boule growth by sublimation vapor transport",
2305 journal = "J. Cryst. Growth",
2312 doi = "DOI: 10.1016/0022-0248(91)90152-U",
2313 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46FJ4VX-KF/2/fb802a6d67a8074a672007e972b264e1",
2314 author = "D. L. Barrett and R. G. Seidensticker and W. Gaida and
2315 R. H. Hopkins and W. J. Choyke",
2319 title = "Growth of large Si{C} single crystals",
2320 journal = "J. Cryst. Growth",
2327 doi = "DOI: 10.1016/0022-0248(93)90348-Z",
2328 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46YKSGB-4D/2/bc26617f48735a9ffbf5c61a5e164d9c",
2329 author = "D. L. Barrett and J. P. McHugh and H. M. Hobgood and
2330 R. H. Hopkins and P. G. McMullin and R. C. Clarke and
2335 title = "Control of polytype formation by surface energy
2336 effects during the growth of Si{C} monocrystals by the
2337 sublimation method",
2338 journal = "J. Cryst. Growth",
2345 doi = "DOI: 10.1016/0022-0248(93)90397-F",
2346 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46FX1XJ-1X/2/493b180c29103dba5dba351e0fae5b9d",
2347 author = "R. A. Stein and P. Lanig",
2348 notes = "6h and 4h, sublimation technique",
2352 author = "Shigehiro Nishino and J. Anthony Powell and Herbert A.
2355 title = "Production of large-area single-crystal wafers of
2356 cubic Si{C} for semiconductor devices",
2359 journal = "Appl. Phys. Lett.",
2363 keywords = "silicon carbides; layers; chemical vapor deposition;
2365 URL = "http://link.aip.org/link/?APL/42/460/1",
2366 doi = "10.1063/1.93970",
2367 notes = "cvd of 3c-sic on si, sic buffer layer",
2370 @Article{nagasawa06,
2371 author = "H. Nagasawa and K. Yagi and T. Kawahara and N. Hatta",
2372 title = "Reducing Planar Defects in 3{C}¿Si{C}",
2373 journal = "Chemical Vapor Deposition",
2376 publisher = "WILEY-VCH Verlag",
2378 URL = "http://dx.doi.org/10.1002/cvde.200506466",
2379 doi = "10.1002/cvde.200506466",
2381 keywords = "Defect structures, Epitaxy, Silicon carbide",
2383 notes = "cvd on si",
2387 author = "Shigehiro Nishino and Hajime Suhara and Hideyuki Ono
2388 and Hiroyuki Matsunami",
2390 title = "Epitaxial growth and electric characteristics of cubic
2394 journal = "J. Appl. Phys.",
2397 pages = "4889--4893",
2398 URL = "http://link.aip.org/link/?JAP/61/4889/1",
2399 doi = "10.1063/1.338355",
2400 notes = "cvd of 3c-sic on si, sic buffer layer, first time
2405 author = "J. Anthony Powell and Lawrence G. Matus and Maria A.
2407 title = "Growth and Characterization of Cubic Si{C}
2408 Single-Crystal Films on Si",
2411 journal = "J. Electrochem. Soc.",
2414 pages = "1558--1565",
2415 keywords = "semiconductor materials; silicon compounds; carbon
2416 compounds; crystal morphology; electron mobility",
2417 URL = "http://link.aip.org/link/?JES/134/1558/1",
2418 doi = "10.1149/1.2100708",
2419 notes = "blue light emitting diodes (led)",
2422 @Article{powell87_2,
2423 author = "J. A. Powell and L. G. Matus and M. A. Kuczmarski and
2424 C. M. Chorey and T. T. Cheng and P. Pirouz",
2426 title = "Improved beta-Si{C} heteroepitaxial films using
2427 off-axis Si substrates",
2430 journal = "Appl. Phys. Lett.",
2434 keywords = "VAPOR PHASE EPITAXY; SILICON CARBIDES; VAPOR DEPOSITED
2435 COATINGS; SILICON; EPITAXIAL LAYERS; INTERFACE
2436 STRUCTURE; SURFACE STRUCTURE; FILM GROWTH; STACKING
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2439 URL = "http://link.aip.org/link/?APL/51/823/1",
2440 doi = "10.1063/1.98824",
2441 notes = "improved sic on off-axis si substrates, reduced apbs",
2445 title = "Crystal growth of Si{C} by step-controlled epitaxy",
2446 journal = "J. Cryst. Growth",
2453 doi = "DOI: 10.1016/0022-0248(90)90013-B",
2454 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46CC6CX-KN/2/d5184c7bd29063985f7d1dd4112b12c9",
2455 author = "Tetsuzo Ueda and Hironori Nishino and Hiroyuki
2457 notes = "step-controlled epitaxy model",
2461 author = "Tsunenobu Kimoto and Hironori Nishino and Woo Sik Yoo
2462 and Hiroyuki Matsunami",
2463 title = "Growth mechanism of 6{H}-Si{C} in step-controlled
2467 journal = "J. Appl. Phys.",
2471 keywords = "SILICON CARBIDES; EPITAXY; GROWTH RATE; TEMPERATURE
2472 RANGE 10004000 K; TWINNING; ACTIVATION ENERGY; CHEMICAL
2474 URL = "http://link.aip.org/link/?JAP/73/726/1",
2475 doi = "10.1063/1.353329",
2476 notes = "cvd of 6h-sic on 6h-sic, twinned 3c-sic",
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2481 J. Choyke and J. L. Bradshaw and L. Henderson and M.
2482 Yoganathan and J. Yang and P. Pirouz",
2484 title = "Growth of high quality 6{H}-Si{C} epitaxial films on
2485 vicinal (0001) 6{H}-Si{C} wafers",
2488 journal = "Appl. Phys. Lett.",
2491 pages = "1442--1444",
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2497 doi = "10.1063/1.102492",
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2502 author = "H. S. Kong and J. T. Glass and R. F. Davis",
2504 title = "Chemical vapor deposition and characterization of
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2512 pages = "2672--2679",
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2518 URL = "http://link.aip.org/link/?JAP/64/2672/1",
2519 doi = "10.1063/1.341608",
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2524 J. Choyke and J. L. Bradshaw and L. Henderson and M.
2525 Yoganathan and J. Yang and P. Pirouz",
2527 title = "Growth of improved quality 3{C}-Si{C} films on
2528 6{H}-Si{C} substrates",
2531 journal = "Appl. Phys. Lett.",
2534 pages = "1353--1355",
2535 keywords = "SILICON CARBIDES; CHEMICAL VAPOR DEPOSITION; SORPTIVE
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2537 MICROSCOPY; DEFECT STRUCTURE; STACKING FAULTS; VAPOR
2539 URL = "http://link.aip.org/link/?APL/56/1353/1",
2540 doi = "10.1063/1.102512",
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2545 author = "H. S. Kong and B. L. Jiang and J. T. Glass and G. A.
2546 Rozgonyi and K. L. More",
2548 title = "An examination of double positioning boundaries and
2549 interface misfit in beta-Si{C} films on alpha-Si{C}
2553 journal = "J. Appl. Phys.",
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2567 author = "J. A. Powell and J. B. Petit and J. H. Edgar and I. G.
2568 Jenkins and L. G. Matus and J. W. Yang and P. Pirouz
2569 and W. J. Choyke and L. Clemen and M. Yoganathan",
2571 title = "Controlled growth of 3{C}-Si{C} and 6{H}-Si{C} films
2572 on low-tilt-angle vicinal (0001) 6{H}-Si{C} wafers",
2575 journal = "Appl. Phys. Lett.",
2579 keywords = "SILICON CARBIDES; SURFACE TREATMENTS; SORPTIVE
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2583 doi = "10.1063/1.105587",
2587 author = "C. Yuan and A. J. Steckl and J. Chaudhuri and R.
2588 Thokala and M. J. Loboda",
2590 title = "Reduced temperature growth of crystalline 3{C}-Si{C}
2591 films on 6{H}-Si{C} by chemical vapor deposition from
2595 journal = "J. Appl. Phys.",
2598 pages = "1271--1273",
2599 keywords = "SILICON CARBIDES; THIN FILMS; CVD; EPITAXY; ABSORPTION
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2603 doi = "10.1063/1.360368",
2604 notes = "3c-sic on 6h-sic, cvd, reduced temperature",
2608 title = "{MBE} growth of 3{C}·Si{C}/6·Si{C} and the electric
2609 properties of its p-n junction",
2610 journal = "J. Cryst. Growth",
2617 doi = "DOI: 10.1016/0022-0248(87)90449-0",
2618 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46X9W77-3F/2/864b2d86faa794252e1d1f16c99a9cf1",
2619 author = "Shigeo Kaneda and Yoshiki Sakamoto and Tadashi Mihara
2621 notes = "first time ssmbe of 3c-sic on 6h-sic",
2625 title = "Epitaxial growth of Si{C} thin films on Si-stabilized
2626 [alpha]-Si{C}(0001) at low temperatures by solid-source
2627 molecular beam epitaxy",
2628 journal = "J. Cryst. Growth",
2634 doi = "DOI: 10.1016/0022-0248(95)00170-0",
2635 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3Y5MMXM-1N/2/65549019b878bf02d5ec645b7eea9e98",
2636 author = "A. Fissel and U. Kaiser and E. Ducke and B.
2637 Schr{\"{o}}ter and W. Richter",
2638 notes = "solid source mbe of 3c-sic on si and 6h-sic",
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2644 title = "Low-temperature growth of Si{C} thin films on Si and
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2648 journal = "Appl. Phys. Lett.",
2651 pages = "3182--3184",
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2656 notes = "mbe 3c-sic on si and 6h-sic",
2660 author = "Andreas Fissel and Ute Kaiser and Kay Pfennighaus and
2661 Bernd Schr{\"{o}}ter and Wolfgang Richter",
2663 title = "Growth of 6{H}--Si{C} on 6{H}--Si{C}(0001) by
2664 migration enhanced epitaxy controlled to an atomic
2665 level using surface superstructures",
2668 journal = "Appl. Phys. Lett.",
2671 pages = "1204--1206",
2672 keywords = "MICROSTRUCTURE; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
2673 NUCLEATION; SILICON CARBIDES; SURFACE RECONSTRUCTION;
2675 URL = "http://link.aip.org/link/?APL/68/1204/1",
2676 doi = "10.1063/1.115969",
2677 notes = "ss mbe sic, superstructure, reconstruction",
2681 title = "Ab initio Simulations of Homoepitaxial Si{C} Growth",
2682 author = "M. C. Righi and C. A. Pignedoli and R. Di Felice and
2683 C. M. Bertoni and A. Catellani",
2684 journal = "Phys. Rev. Lett.",
2691 doi = "10.1103/PhysRevLett.91.136101",
2692 publisher = "American Physical Society",
2693 notes = "dft calculations mbe sic growth",
2697 author = "J. A. Borders and S. T. Picraux and W. Beezhold",
2699 title = "{FORMATION} {OF} Si{C} {IN} {SILICON} {BY} {ION}
2703 journal = "Appl. Phys. Lett.",
2707 URL = "http://link.aip.org/link/?APL/18/509/1",
2708 doi = "10.1063/1.1653516",
2709 notes = "first time sic by ibs, follow cites for precipitation
2714 author = "F. L. Edelman and O. N. Kuznetsov and L. V. Lezheiko
2715 and E. V. Lubopytova",
2716 title = "Formation of Si{C} and Si[sub 3]{N}[sub 4] in silicon
2717 by ion implantation",
2718 publisher = "Taylor \& Francis",
2720 journal = "Radiat. Eff.",
2724 URL = "http://www.informaworld.com/10.1080/00337577608233477",
2725 notes = "3c-sic for different temperatures, amorphous, poly,
2726 single crystalline",
2729 @Article{akimchenko80,
2730 author = "I. P. Akimchenko and K. V. Kisseleva and V. V.
2731 Krasnopevtsev and A. G. Touryanski and V. S. Vavilov",
2732 title = "Structure and optical properties of silicon implanted
2733 by high doses of 70 and 310 ke{V} carbon ions",
2734 publisher = "Taylor \& Francis",
2736 journal = "Radiat. Eff.",
2740 URL = "http://www.informaworld.com/10.1080/00337578008209220",
2741 notes = "3c-sic nucleation by thermal spikes",
2745 title = "Structure and annealing properties of silicon carbide
2746 thin layers formed by implantation of carbon ions in
2748 journal = "Thin Solid Films",
2755 doi = "DOI: 10.1016/0040-6090(81)90516-2",
2756 URL = "http://www.sciencedirect.com/science/article/B6TW0-46T3DRB-NS/2/831f8ddd769a5d64cd493b89a9b0cf80",
2757 author = "Tadamasa Kimura and Shigeru Kagiyama and Shigemi
2762 title = "Characteristics of the synthesis of [beta]-Si{C} by
2763 the implantation of carbon ions into silicon",
2764 journal = "Thin Solid Films",
2771 doi = "DOI: 10.1016/0040-6090(82)90295-4",
2772 URL = "http://www.sciencedirect.com/science/article/B6TW0-46PB24G-11C/2/6bc025812640087a987ae09c38faaecd",
2773 author = "Tadamasa Kimura and Shigeru Kagiyama and Shigemi
2778 author = "K. J. Reeson and P. L. F. Hemment and R. F. Peart and
2779 C. D. Meekison and C. Marsh and G. R. Booker and R. J.
2780 Chater and J. A. Iulner and J. Davis",
2781 title = "Formation mechanisms and structures of insulating
2782 compounds formed in silicon by ion beam synthesis",
2783 publisher = "Taylor \& Francis",
2785 journal = "Radiat. Eff.",
2789 URL = "http://www.informaworld.com/10.1080/00337578608209614",
2790 notes = "ibs, comparison with sio and sin, higher temp or time,
2791 no c redistribution",
2795 author = "K. J. Reeson and P. L. F. Hemment and J. Stoemenos and
2796 J. Davis and G. E. Celler",
2798 title = "Formation of buried layers of beta-Si{C} using ion
2799 beam synthesis and incoherent lamp annealing",
2802 journal = "Appl. Phys. Lett.",
2805 pages = "2242--2244",
2806 keywords = "SILICON CARBIDES; FILM GROWTH; SOLIDPHASE EPITAXY; ION
2807 IMPLANTATION; CARBON IONS; DOPING PROFILES; SYNTHESIS",
2808 URL = "http://link.aip.org/link/?APL/51/2242/1",
2809 doi = "10.1063/1.98953",
2810 notes = "nice tem images, sic by ibs",
2814 author = "P. Martin and B. Daudin and M. Dupuy and A. Ermolieff
2815 and M. Olivier and A. M. Papon and G. Rolland",
2817 title = "High-temperature ion beam synthesis of cubic Si{C}",
2820 journal = "J. Appl. Phys.",
2823 pages = "2908--2912",
2824 keywords = "SILICON CARBIDES; SYNTHESIS; CUBIC LATTICES; ION
2825 IMPLANTATION; SILICON; SUBSTRATES; CARBON IONS;
2826 TRANSMISSION ELECTRON MICROSCOPY; XRAY DIFFRACTION;
2827 INFRARED SPECTRA; ABSORPTION SPECTROSCOPY; AUGER
2828 ELECTRON SPECTROSCOPY; RBS; CHANNELING; NUCLEAR
2829 REACTIONS; MONOCRYSTALS",
2830 URL = "http://link.aip.org/link/?JAP/67/2908/1",
2831 doi = "10.1063/1.346092",
2832 notes = "triple energy implantation to overcome high annealing
2837 author = "R. I. Scace and G. A. Slack",
2839 title = "Solubility of Carbon in Silicon and Germanium",
2842 journal = "J. Chem. Phys.",
2845 pages = "1551--1555",
2846 URL = "http://link.aip.org/link/?JCP/30/1551/1",
2847 doi = "10.1063/1.1730236",
2848 notes = "solubility of c in c-si, si-c phase diagram",
2852 author = "W. Hofker and H. Werner and D. Oosthoek and N.
2854 affiliation = "N. V. Philips' Gloeilampenfabrieken Philips Research
2855 Laboratories Eindhoven Netherlands Eindhoven
2857 title = "Boron implantations in silicon: {A} comparison of
2858 charge carrier and boron concentration profiles",
2859 journal = "Appl. Phys. A",
2860 publisher = "Springer Berlin / Heidelberg",
2862 keyword = "Physics and Astronomy",
2866 URL = "http://dx.doi.org/10.1007/BF00884267",
2867 note = "10.1007/BF00884267",
2869 notes = "first time ted (only for boron?)",
2873 author = "A. E. Michel and W. Rausch and P. A. Ronsheim and R.
2876 title = "Rapid annealing and the anomalous diffusion of ion
2877 implanted boron into silicon",
2880 journal = "Appl. Phys. Lett.",
2884 keywords = "SILICON; ION IMPLANTATION; ANNEALING; DIFFUSION;
2885 BORON; ATOM TRANSPORT; CHARGEDPARTICLE TRANSPORT; VERY
2886 HIGH TEMPERATURE; PN JUNCTIONS; SURFACE CONDUCTIVITY",
2887 URL = "http://link.aip.org/link/?APL/50/416/1",
2888 doi = "10.1063/1.98160",
2889 notes = "ted of boron in si",
2893 author = "N. E. B. Cowern and K. T. F. Janssen and H. F. F.
2896 title = "Transient diffusion of ion-implanted {B} in Si: Dose,
2897 time, and matrix dependence of atomic and electrical
2901 journal = "J. Appl. Phys.",
2904 pages = "6191--6198",
2905 keywords = "BORON IONS; ION IMPLANTATION; SILICON; DIFFUSION; TIME
2906 DEPENDENCE; ANNEALING; VERY HIGH TEMPERATURE; SIMS;
2907 CRYSTALS; AMORPHIZATION",
2908 URL = "http://link.aip.org/link/?JAP/68/6191/1",
2909 doi = "10.1063/1.346910",
2910 notes = "ted of boron in si",
2914 author = "N. E. B. Cowern and A. Cacciato and J. S. Custer and
2915 F. W. Saris and W. Vandervorst",
2917 title = "Role of {C} and {B} clusters in transient diffusion of
2921 journal = "Appl. Phys. Lett.",
2924 pages = "1150--1152",
2925 keywords = "ATOMIC CLUSTERS; BORON ADDITIONS; CRYSTAL DOPING;
2926 DIFFUSION; DOPED MATERIALS; IMPURITIES; INTERSTITIALS;
2928 URL = "http://link.aip.org/link/?APL/68/1150/1",
2929 doi = "10.1063/1.115706",
2930 notes = "suppression of transient enhanced diffusion (ted)",
2934 title = "Implantation and transient boron diffusion: the role
2935 of the silicon self-interstitial",
2936 journal = "Nucl. Instrum. Methods Phys. Res. B",
2941 note = "Selected Papers of the Tenth International Conference
2942 on Ion Implantation Technology (IIT '94)",
2944 doi = "DOI: 10.1016/0168-583X(94)00481-1",
2945 URL = "http://www.sciencedirect.com/science/article/B6TJN-40WKY1P-29/2/602c6e5b809221323d2d2968edd0a71c",
2946 author = "P. A. Stolk and H. -J. Gossmann and D. J. Eaglesham
2951 author = "P. A. Stolk and H.-J. Gossmann and D. J. Eaglesham and
2952 D. C. Jacobson and C. S. Rafferty and G. H. Gilmer and
2953 M. Jara\'{\i}z and J. M. Poate and H. S. Luftman and T.
2956 title = "Physical mechanisms of transient enhanced dopant
2957 diffusion in ion-implanted silicon",
2960 journal = "J. Appl. Phys.",
2963 pages = "6031--6050",
2964 URL = "http://link.aip.org/link/?JAP/81/6031/1",
2965 doi = "10.1063/1.364452",
2966 notes = "ted, transient enhanced diffusion, c silicon trap",
2970 author = "A. R. Powell and F. K. LeGoues and S. S. Iyer",
2972 title = "Formation of beta-Si{C} nanocrystals by the relaxation
2973 of Si[sub 1 - y]{C}[sub y] random alloy layers",
2976 journal = "Appl. Phys. Lett.",
2980 keywords = "SILICON CARBIDES; NANOSTRUCTURES; DISPERSIONS;
2981 EPITAXIAL LAYERS; STRESS RELAXATION; ANNEALING;
2982 TEMPERATURE EFFECTS; PRECIPITATION; DISLOCATIONS;
2984 URL = "http://link.aip.org/link/?APL/64/324/1",
2985 doi = "10.1063/1.111195",
2986 notes = "beta sic nano crystals in si, mbe, annealing",
2990 author = "Richard A. Soref",
2992 title = "Optical band gap of the ternary semiconductor Si[sub 1
2993 - x - y]Ge[sub x]{C}[sub y]",
2996 journal = "J. Appl. Phys.",
2999 pages = "2470--2472",
3000 keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; ENERGY GAP;
3001 OPTICAL PROPERTIES; DIAMONDS; SEMICONDUCTOR ALLOYS;
3003 URL = "http://link.aip.org/link/?JAP/70/2470/1",
3004 doi = "10.1063/1.349403",
3005 notes = "band gap of strained si by c",
3009 author = "E Kasper",
3010 title = "Superlattices of group {IV} elements, a new
3011 possibility to produce direct band gap material",
3012 journal = "Phys. Scr.",
3015 URL = "http://stacks.iop.org/1402-4896/T35/232",
3017 notes = "superlattices, convert indirect band gap into a
3022 author = "K. Eberl and S. S. Iyer and S. Zollner and J. C. Tsang
3025 title = "Growth and strain compensation effects in the ternary
3026 Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloy system",
3029 journal = "Appl. Phys. Lett.",
3032 pages = "3033--3035",
3033 keywords = "SILICON ALLOYS; GERMANIUM ALLOYS; CARBON ALLOYS;
3034 TERNARY ALLOYS; SEMICONDUCTOR ALLOYS; MOLECULAR BEAM
3035 EPITAXY; INTERNAL STRAINS; TEMPERATURE EFFECTS; CRYSTAL
3036 STRUCTURE; LATTICE PARAMETERS; XRAY DIFFRACTION; PHASE
3038 URL = "http://link.aip.org/link/?APL/60/3033/1",
3039 doi = "10.1063/1.106774",
3043 author = "A. R. Powell and K. Eberl and F. E. LeGoues and B. A.
3046 title = "Stability of strained Si[sub 1 - y]{C}[sub y] random
3050 journal = "J. Vac. Sci. Technol. B",
3053 pages = "1064--1068",
3054 location = "Ottawa (Canada)",
3055 keywords = "SILICON ALLOYS; CARBON ALLOYS; STRAINS; THICKNESS;
3056 METASTABLE PHASES; TWINNING; DISLOCATIONS; MOLECULAR
3057 BEAM EPITAXY; EPITAXIAL LAYERS; CRITICAL PHENOMENA;
3058 TEMPERATURE RANGE 400--1000 K; BINARY ALLOYS",
3059 URL = "http://link.aip.org/link/?JVB/11/1064/1",
3060 doi = "10.1116/1.587008",
3061 notes = "substitutional c in si by mbe",
3064 @Article{powell93_2,
3065 title = "Si[sub 1-x-y]Ge[sub x]{C}[sub y] growth and properties
3066 of the ternary system",
3067 journal = "J. Cryst. Growth",
3074 doi = "DOI: 10.1016/0022-0248(93)90653-E",
3075 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46J3RF2-8H/2/27fc231f28e4dc0a3b4770e5cf03257e",
3076 author = "A. R. Powell and K. Eberl and B. A. Ek and S. S.
3081 author = "H. J. Osten",
3082 title = "Modification of Growth Modes in Lattice-Mismatched
3083 Epitaxial Systems: Si/Ge",
3084 journal = "phys. status solidi (a)",
3087 publisher = "WILEY-VCH Verlag",
3089 URL = "http://dx.doi.org/10.1002/pssa.2211450203",
3090 doi = "10.1002/pssa.2211450203",
3095 @Article{dietrich94,
3096 title = "Lattice distortion in a strain-compensated
3097 $Si_{1-x-y}$$Ge_{x}$${C}_{y}$ layer on silicon",
3098 author = "B. Dietrich and H. J. Osten and H. R{\"u}cker and M.
3099 Methfessel and P. Zaumseil",
3100 journal = "Phys. Rev. B",
3103 pages = "17185--17190",
3107 doi = "10.1103/PhysRevB.49.17185",
3108 publisher = "American Physical Society",
3112 author = "H. J. Osten and E. Bugiel and P. Zaumseil",
3114 title = "Growth of an inverse tetragonal distorted SiGe layer
3115 on Si(001) by adding small amounts of carbon",
3118 journal = "Appl. Phys. Lett.",
3121 pages = "3440--3442",
3122 keywords = "SILICON ALLOYS; GERMANIUM ALLOYS; FILM GROWTH; CARBON
3123 ALLOYS; TERNARY ALLOYS; MOLECULAR BEAM EPITAXY; TEM;
3124 XRD; LATTICE PARAMETERS; EPITAXIAL LAYERS; TETRAGONAL
3126 URL = "http://link.aip.org/link/?APL/64/3440/1",
3127 doi = "10.1063/1.111235",
3128 notes = "inversely strained / distorted heterostructure",
3132 author = "S. S. Iyer and K. Eberl and M. S. Goorsky and F. K.
3133 LeGoues and J. C. Tsang and F. Cardone",
3135 title = "Synthesis of Si[sub 1 - y]{C}[sub y] alloys by
3136 molecular beam epitaxy",
3139 journal = "Appl. Phys. Lett.",
3143 keywords = "SILICON ALLOYS; CARBON ALLOYS; BINARY ALLOYS;
3144 SEMICONDUCTOR ALLOYS; SUPERLATTICES; MOLECULAR BEAM
3145 EPITAXY; CHEMICAL COMPOSITION; TEMPERATURE EFFECTS;
3146 FILM GROWTH; MICROSTRUCTURE",
3147 URL = "http://link.aip.org/link/?APL/60/356/1",
3148 doi = "10.1063/1.106655",
3152 author = "H. J. Osten and J. Griesche and S. Scalese",
3154 title = "Substitutional carbon incorporation in epitaxial
3155 Si[sub 1 - y]{C}[sub y] alloys on Si(001) grown by
3156 molecular beam epitaxy",
3159 journal = "Appl. Phys. Lett.",
3163 keywords = "molecular beam epitaxial growth; semiconductor growth;
3164 wide band gap semiconductors; interstitials; silicon
3166 URL = "http://link.aip.org/link/?APL/74/836/1",
3167 doi = "10.1063/1.123384",
3168 notes = "substitutional c in si by mbe",
3172 author = "M. Born and R. Oppenheimer",
3173 title = "Zur Quantentheorie der Molekeln",
3174 journal = "Ann. Phys. (Leipzig)",
3177 publisher = "WILEY-VCH Verlag",
3179 URL = "http://dx.doi.org/10.1002/andp.19273892002",
3180 doi = "10.1002/andp.19273892002",
3185 @Article{hohenberg64,
3186 title = "Inhomogeneous Electron Gas",
3187 author = "P. Hohenberg and W. Kohn",
3188 journal = "Phys. Rev.",
3191 pages = "B864--B871",
3195 doi = "10.1103/PhysRev.136.B864",
3196 publisher = "American Physical Society",
3197 notes = "density functional theory, dft",
3201 title = "The calculation of atomic fields",
3202 author = "L. H. Thomas",
3203 journal = "Proc. Cambridge Philos. Soc.",
3207 doi = "10.1017/S0305004100011683",
3212 author = "E. Fermi",
3213 journal = "Atti Accad. Naz. Lincei, Cl. Sci. Fis. Mat. Nat.
3221 title = "The Wave Mechanics of an Atom with a Non-Coulomb
3222 Central Field. Part {I}. Theory and Methods",
3223 author = "D. R. Hartree",
3224 journal = "Proc. Cambridge Philos. Soc.",
3228 doi = "10.1017/S0305004100011919",
3232 title = "The Theory of Complex Spectra",
3233 author = "J. C. Slater",
3234 journal = "Phys. Rev.",
3237 pages = "1293--1322",
3241 doi = "10.1103/PhysRev.34.1293",
3242 publisher = "American Physical Society",
3246 title = "Self-Consistent Equations Including Exchange and
3247 Correlation Effects",
3248 author = "W. Kohn and L. J. Sham",
3249 journal = "Phys. Rev.",
3252 pages = "A1133--A1138",
3256 doi = "10.1103/PhysRev.140.A1133",
3257 publisher = "American Physical Society",
3258 notes = "dft, exchange and correlation",
3262 title = "Density Functional and Density Matrix Method Scaling
3263 Linearly with the Number of Atoms",
3265 journal = "Phys. Rev. Lett.",
3268 pages = "3168--3171",
3272 doi = "10.1103/PhysRevLett.76.3168",
3273 publisher = "American Physical Society",
3277 title = "Edge Electron Gas",
3278 author = "Walter Kohn and Ann E. Mattsson",
3279 journal = "Phys. Rev. Lett.",
3282 pages = "3487--3490",
3286 doi = "10.1103/PhysRevLett.81.3487",
3287 publisher = "American Physical Society",
3291 title = "Nobel Lecture: Electronic structure of matter---wave
3292 functions and density functionals",
3294 journal = "Rev. Mod. Phys.",
3297 pages = "1253--1266",
3301 doi = "10.1103/RevModPhys.71.1253",
3302 publisher = "American Physical Society",
3306 title = "Iterative minimization techniques for ab initio
3307 total-energy calculations: molecular dynamics and
3308 conjugate gradients",
3309 author = "M. C. Payne and M. P. Teter and D. C. Allan and T. A.
3310 Arias and J. D. Joannopoulos",
3311 journal = "Rev. Mod. Phys.",
3314 pages = "1045--1097",
3318 doi = "10.1103/RevModPhys.64.1045",
3319 publisher = "American Physical Society",
3323 title = "Electron densities in search of Hamiltonians",
3324 author = "Mel Levy",
3325 journal = "Phys. Rev. A",
3328 pages = "1200--1208",
3332 doi = "10.1103/PhysRevA.26.1200",
3333 publisher = "American Physical Society",
3337 title = "Strain-stabilized highly concentrated pseudomorphic
3338 $Si1-x$$Cx$ layers in Si",
3339 author = "H. R{\"u}cker and M. Methfessel and E. Bugiel and H.
3341 journal = "Phys. Rev. Lett.",
3344 pages = "3578--3581",
3348 doi = "10.1103/PhysRevLett.72.3578",
3349 publisher = "American Physical Society",
3350 notes = "high c concentration in si, heterostructure, strained
3355 title = "Phosphorous Doping of Strain-Induced
3356 Si$_{1-y}${C}$_{y}$ Epitaxial Films Grown\\
3357 by Low-Temperature Chemical Vapor Deposition",
3358 author = "Shuhei Yagi and Katsuya Abe and Takashi Okabayashi and
3359 Yuichi Yoneyama and Akira Yamada and Makoto Konagai",
3360 journal = "Japanese J. Appl. Phys.",
3362 number = "Part 1, No. 4B",
3363 pages = "2472--2475",
3366 URL = "http://jjap.jsap.jp/link?JJAP/41/2472/",
3367 doi = "10.1143/JJAP.41.2472",
3368 publisher = "The Japan Society of Applied Physics",
3369 notes = "experimental charge carrier mobility in strained si",
3373 title = "Electron Transport Model for Strained Silicon-Carbon
3375 author = "Shu-Tong Chang and Chung-Yi Lin",
3376 journal = "Japanese J. Appl. Phys.",
3379 pages = "2257--2262",
3382 URL = "http://jjap.ipap.jp/link?JJAP/44/2257/",
3383 doi = "10.1143/JJAP.44.2257",
3384 publisher = "The Japan Society of Applied Physics",
3385 notes = "enhance of electron mobility in strained si",
3388 @Article{kissinger94,
3389 author = "W. Kissinger and M. Weidner and H. J. Osten and M.
3392 title = "Optical transitions in strained Si[sub 1 - y]{C}[sub
3393 y] layers on Si(001)",
3396 journal = "Appl. Phys. Lett.",
3399 pages = "3356--3358",
3400 keywords = "SILICON CARBIDES; INTERNAL STRAINS; EPITAXIAL LAYERS;
3401 CHEMICAL COMPOSITION; ELLIPSOMETRY; REFLECTION
3402 SPECTROSCOPY; ELECTROOPTICAL EFFECTS; BAND STRUCTURE;
3403 ENERGY LEVELS; ENERGYLEVEL TRANSITIONS",
3404 URL = "http://link.aip.org/link/?APL/65/3356/1",
3405 doi = "10.1063/1.112390",
3406 notes = "strained si influence on optical properties",
3410 author = "H. J. Osten and Myeongcheol Kim and K. Pressel and P.
3413 title = "Substitutional versus interstitial carbon
3414 incorporation during pseudomorphic growth of Si[sub 1 -
3415 y]{C}[sub y] on Si(001)",
3418 journal = "J. Appl. Phys.",
3421 pages = "6711--6715",
3422 keywords = "SILICON CARBIDES; CRYSTAL DEFECTS; FILM GROWTH;
3423 MOLECULAR BEAM EPITAXY; INTERSTITIALS; SUBSTITUTION;
3425 URL = "http://link.aip.org/link/?JAP/80/6711/1",
3426 doi = "10.1063/1.363797",
3427 notes = "mbe substitutional vs interstitial c incorporation",
3431 author = "H. J. Osten and P. Gaworzewski",
3433 title = "Charge transport in strained Si[sub 1 - y]{C}[sub y]
3434 and Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloys on
3438 journal = "J. Appl. Phys.",
3441 pages = "4977--4981",
3442 keywords = "silicon compounds; Ge-Si alloys; wide band gap
3443 semiconductors; semiconductor epitaxial layers; carrier
3444 density; Hall mobility; interstitials; defect states",
3445 URL = "http://link.aip.org/link/?JAP/82/4977/1",
3446 doi = "10.1063/1.366364",
3447 notes = "charge transport in strained si",
3451 title = "Carbon-mediated aggregation of self-interstitials in
3452 silicon: {A} large-scale molecular dynamics study",
3453 author = "Sumeet S. Kapur and Manish Prasad and Talid Sinno",
3454 journal = "Phys. Rev. B",
3461 doi = "10.1103/PhysRevB.69.155214",
3462 publisher = "American Physical Society",
3463 notes = "simulation using promising tersoff reparametrization",
3467 title = "Event-Based Relaxation of Continuous Disordered
3469 author = "G. T. Barkema and Normand Mousseau",
3470 journal = "Phys. Rev. Lett.",
3473 pages = "4358--4361",
3477 doi = "10.1103/PhysRevLett.77.4358",
3478 publisher = "American Physical Society",
3479 notes = "activation relaxation technique, art, speed up slow
3484 author = "E. Canc\`{e}s and F. Legoll and M.-C. Marinica and K.
3485 Minoukadeh and F. Willaime",
3487 title = "Some improvements of the activation-relaxation
3488 technique method for finding transition pathways on
3489 potential energy surfaces",
3492 journal = "J. Chem. Phys.",
3498 keywords = "eigenvalues and eigenfunctions; iron; potential energy
3499 surfaces; vacancies (crystal)",
3500 URL = "http://link.aip.org/link/?JCP/130/114711/1",
3501 doi = "10.1063/1.3088532",
3502 notes = "improvements to art, refs for methods to find
3503 transition pathways",
3506 @Article{parrinello81,
3507 author = "M. Parrinello and A. Rahman",
3509 title = "Polymorphic transitions in single crystals: {A} new
3510 molecular dynamics method",
3513 journal = "J. Appl. Phys.",
3516 pages = "7182--7190",
3517 keywords = "MONOCRYSTALS; PHASE TRANSFORMATIONS; STRUCTURAL
3518 MODELS; DYNAMICS; THEORETICAL DATA; STRESSES;
3519 CONFIGURATION; LAGRANGE EQUATIONS; SIZE; NICKEL;
3520 COMPRESSION; TENSILE PROPERTIES; COMPARATIVE
3521 EVALUATIONS; STRAINS; CUBIC LATTICES; HCP LATTICES;
3523 URL = "http://link.aip.org/link/?JAP/52/7182/1",
3524 doi = "10.1063/1.328693",
3527 @Article{stillinger85,
3528 title = "Computer simulation of local order in condensed phases
3530 author = "Frank H. Stillinger and Thomas A. Weber",
3531 journal = "Phys. Rev. B",
3534 pages = "5262--5271",
3538 doi = "10.1103/PhysRevB.31.5262",
3539 publisher = "American Physical Society",
3543 title = "Empirical potential for hydrocarbons for use in
3544 simulating the chemical vapor deposition of diamond
3546 author = "Donald W. Brenner",
3547 journal = "Phys. Rev. B",
3550 pages = "9458--9471",
3554 doi = "10.1103/PhysRevB.42.9458",
3555 publisher = "American Physical Society",
3556 notes = "brenner hydro carbons",
3560 title = "Modeling of Covalent Bonding in Solids by Inversion of
3561 Cohesive Energy Curves",
3562 author = "Martin Z. Bazant and Efthimios Kaxiras",
3563 journal = "Phys. Rev. Lett.",
3566 pages = "4370--4373",
3570 doi = "10.1103/PhysRevLett.77.4370",
3571 publisher = "American Physical Society",
3572 notes = "first si edip",
3576 title = "Environment-dependent interatomic potential for bulk
3578 author = "Martin Z. Bazant and Efthimios Kaxiras and J. F.
3580 journal = "Phys. Rev. B",
3583 pages = "8542--8552",
3587 doi = "10.1103/PhysRevB.56.8542",
3588 publisher = "American Physical Society",
3589 notes = "second si edip",
3593 title = "Interatomic potential for silicon defects and
3595 author = "Jo\tilde{a}o F. Justo and Martin Z. Bazant and
3596 Efthimios Kaxiras and V. V. Bulatov and Sidney Yip",
3597 journal = "Phys. Rev. B",
3600 pages = "2539--2550",
3604 doi = "10.1103/PhysRevB.58.2539",
3605 publisher = "American Physical Society",
3606 notes = "latest si edip, good dislocation explanation",
3610 journal = "{PARCAS} molecular dynamics code",
3611 author = "K. Nordlund",
3616 title = "Hyperdynamics: Accelerated Molecular Dynamics of
3618 author = "Arthur F. Voter",
3619 journal = "Phys. Rev. Lett.",
3622 pages = "3908--3911",
3626 doi = "10.1103/PhysRevLett.78.3908",
3627 publisher = "American Physical Society",
3628 notes = "hyperdynamics, accelerated md",
3632 author = "Arthur F. Voter",
3634 title = "A method for accelerating the molecular dynamics
3635 simulation of infrequent events",
3638 journal = "J. Chem. Phys.",
3641 pages = "4665--4677",
3642 keywords = "COMPUTERIZED SIMULATION; NICKEL; DIFFUSION; ATOM
3643 TRANSPORT; MOLECULAR ORBITAL METHOD; POTENTIAL ENERGY;
3644 SURFACE POTENTIAL; MOLECULAR DYNAMICS METHOD; potential
3645 energy functions; surface diffusion; reaction kinetics
3646 theory; potential energy surfaces",
3647 URL = "http://link.aip.org/link/?JCP/106/4665/1",
3648 doi = "10.1063/1.473503",
3649 notes = "improved hyperdynamics md",
3652 @Article{sorensen2000,
3653 author = "Mads R. S{\o }rensen and Arthur F. Voter",
3655 title = "Temperature-accelerated dynamics for simulation of
3659 journal = "J. Chem. Phys.",
3662 pages = "9599--9606",
3663 keywords = "SOLID STATE PHYSICS; SIMULATION; DIFFUSION; SURFACES;
3664 MOLECULAR DYNAMICS METHOD; surface diffusion",
3665 URL = "http://link.aip.org/link/?JCP/112/9599/1",
3666 doi = "10.1063/1.481576",
3667 notes = "temperature accelerated dynamics, tad",
3671 title = "Parallel replica method for dynamics of infrequent
3673 author = "Arthur F. Voter",
3674 journal = "Phys. Rev. B",
3677 pages = "R13985--R13988",
3681 doi = "10.1103/PhysRevB.57.R13985",
3682 publisher = "American Physical Society",
3683 notes = "parallel replica method, accelerated md",
3687 author = "Xiongwu Wu and Shaomeng Wang",
3689 title = "Enhancing systematic motion in molecular dynamics
3693 journal = "J. Chem. Phys.",
3696 pages = "9401--9410",
3697 keywords = "molecular dynamics method; argon; Lennard-Jones
3698 potential; crystallisation; liquid theory",
3699 URL = "http://link.aip.org/link/?JCP/110/9401/1",
3700 doi = "10.1063/1.478948",
3701 notes = "self guided md, sgmd, accelerated md, enhancing
3705 @Article{choudhary05,
3706 author = "Devashish Choudhary and Paulette Clancy",
3708 title = "Application of accelerated molecular dynamics schemes
3709 to the production of amorphous silicon",
3712 journal = "J. Chem. Phys.",
3718 keywords = "molecular dynamics method; silicon; glass structure;
3719 amorphous semiconductors",
3720 URL = "http://link.aip.org/link/?JCP/122/154509/1",
3721 doi = "10.1063/1.1878733",
3722 notes = "explanation of sgmd and hyper md, applied to amorphous
3727 author = "W. J. Taylor and T. Y. Tan and U. G{\"{o}}sele",
3729 title = "Carbon precipitation in silicon: Why is it so
3733 journal = "Appl. Phys. Lett.",
3736 pages = "3336--3338",
3737 keywords = "SILICON; CARBON ADDITIONS; OXYGEN ADDITIONS; DOPED
3738 MATERIALS; PRECIPITATION; THERMODYNAMICS; SURFACE
3740 URL = "http://link.aip.org/link/?APL/62/3336/1",
3741 doi = "10.1063/1.109063",
3742 notes = "interfacial energy of cubic sic and si, si self
3743 interstitials necessary for precipitation, volume
3744 decrease, high interface energy",
3747 @Article{chaussende08,
3748 title = "Prospects for 3{C}-Si{C} bulk crystal growth",
3749 journal = "J. Cryst. Growth",
3754 note = "Proceedings of the E-MRS Conference, Symposium G -
3755 Substrates of Wide Bandgap Materials",
3757 doi = "DOI: 10.1016/j.jcrysgro.2007.11.140",
3758 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4R7J67S-F/2/e92fc194b652409f5b119393d608b082",
3759 author = "D. Chaussende and F. Mercier and A. Boulle and F.
3760 Conchon and M. Soueidan and G. Ferro and A. Mantzari
3761 and A. Andreadou and E. K. Polychroniadis and C.
3762 Balloud and S. Juillaguet and J. Camassel and M. Pons",
3763 notes = "3c-sic crystal growth, sic fabrication + links,
3767 @Article{chaussende07,
3768 author = "D. Chaussende and P. J. Wellmann and M. Pons",
3769 title = "Status of Si{C} bulk growth processes",
3770 journal = "J. Phys. D",
3774 URL = "http://stacks.iop.org/0022-3727/40/i=20/a=S02",
3776 notes = "review of sic single crystal growth methods, process
3781 title = "Forces in Molecules",
3782 author = "R. P. Feynman",
3783 journal = "Phys. Rev.",
3790 doi = "10.1103/PhysRev.56.340",
3791 publisher = "American Physical Society",
3792 notes = "hellmann feynman forces",
3796 title = "Bonding Arrangements at the $Si-Si{O}_{2}$ and
3797 $Si{C}-Si{O}_{2}$ Interfaces and a Possible Origin of
3798 their Contrasting Properties",
3799 author = "Ryszard Buczko and Stephen J. Pennycook and Sokrates
3801 journal = "Phys. Rev. Lett.",
3808 doi = "10.1103/PhysRevLett.84.943",
3809 publisher = "American Physical Society",
3810 notes = "si sio2 and sic sio2 interface",
3813 @Article{djurabekova08,
3814 title = "Atomistic simulation of the interface structure of Si
3815 nanocrystals embedded in amorphous silica",
3816 author = "Flyura Djurabekova and Kai Nordlund",
3817 journal = "Phys. Rev. B",
3824 doi = "10.1103/PhysRevB.77.115325",
3825 publisher = "American Physical Society",
3826 notes = "nc-si in sio2, interface energy, nc construction,
3827 angular distribution, coordination",
3831 author = "C. Wen and Y. M. Wang and W. Wan and F. H. Li and J.
3832 W. Liang and J. Zou",
3834 title = "Nature of interfacial defects and their roles in
3835 strain relaxation at highly lattice mismatched
3836 3{C}-Si{C}/Si (001) interface",
3839 journal = "J. Appl. Phys.",
3845 keywords = "anelastic relaxation; crystal structure; dislocations;
3846 elemental semiconductors; semiconductor growth;
3847 semiconductor thin films; silicon; silicon compounds;
3848 stacking faults; wide band gap semiconductors",
3849 URL = "http://link.aip.org/link/?JAP/106/073522/1",
3850 doi = "10.1063/1.3234380",
3851 notes = "sic/si interface, follow refs, tem image
3852 deconvolution, dislocation defects",
3855 @Article{kitabatake93,
3856 author = "Makoto Kitabatake and Masahiro Deguchi and Takashi
3859 title = "Simulations and experiments of Si{C} heteroepitaxial
3860 growth on Si(001) surface",
3863 journal = "J. Appl. Phys.",
3866 pages = "4438--4445",
3867 keywords = "SILICON CARBIDES; FILM GROWTH; SIMULATION; MOLECULAR
3868 BEAM EPITAXY; MOLECULAR DYNAMICS CALCULATIONS; SILICON;
3869 MICROSTRUCTURE; ULTRAVIOLET RADIATION; IRRADIATION",
3870 URL = "http://link.aip.org/link/?JAP/74/4438/1",
3871 doi = "10.1063/1.354385",
3872 notes = "mbe and md of sic growth on si, 4 to 5 shrinkage
3876 @Article{kitabatake97,
3877 author = "Makoto Kitabatake",
3878 title = "Simulations and Experiments of 3{C}-Si{C}/Si
3879 Heteroepitaxial Growth",
3880 publisher = "WILEY-VCH Verlag",
3882 journal = "phys. status solidi (b)",
3885 URL = "http://dx.doi.org/10.1002/1521-3951(199707)202:1<405::AID-PSSB405>3.0.CO;2-5",
3886 doi = "10.1002/1521-3951(199707)202:1<405::AID-PSSB405>3.0.CO;2-5",
3887 notes = "3c-sic heteroepitaxial growth on si off-axis model",
3891 title = "Strain relaxation and thermal stability of the
3892 3{C}-Si{C}(001)/Si(001) interface: {A} molecular
3894 journal = "Thin Solid Films",
3901 doi = "DOI: 10.1016/S0040-6090(96)09257-7",
3902 URL = "http://www.sciencedirect.com/science/article/B6TW0-41WBB52-C/2/6ef684a04d02dd3b108f972377cde8f4",
3903 author = "V. Chirita and L. Hultman and L. R. Wallenberg",
3904 keywords = "Strain relaxation",
3905 keywords = "Interfaces",
3906 keywords = "Thermal stability",
3907 keywords = "Molecular dynamics",
3908 notes = "tersoff sic/si interface study",
3912 title = "Ab initio Study of Misfit Dislocations at the
3913 $Si{C}/Si(001)$ Interface",
3914 author = "Giancarlo Cicero and Laurent Pizzagalli and Alessandra
3916 journal = "Phys. Rev. Lett.",
3923 doi = "10.1103/PhysRevLett.89.156101",
3924 publisher = "American Physical Society",
3925 notes = "sic/si interface study",
3928 @Article{pizzagalli03,
3929 title = "Theoretical investigations of a highly mismatched
3930 interface: Si{C}/Si(001)",
3931 author = "Laurent Pizzagalli and Giancarlo Cicero and Alessandra
3933 journal = "Phys. Rev. B",
3940 doi = "10.1103/PhysRevB.68.195302",
3941 publisher = "American Physical Society",
3942 notes = "tersoff md and ab initio sic/si interface study",
3946 title = "Atomic configurations of dislocation core and twin
3947 boundaries in $ 3{C}-Si{C} $ studied by high-resolution
3948 electron microscopy",
3949 author = "C. Y. Tang and F. H. Li and R. Wang and J. Zou and X.
3950 H. Zheng and J. W. Liang",
3951 journal = "Phys. Rev. B",
3958 doi = "10.1103/PhysRevB.75.184103",
3959 publisher = "American Physical Society",
3960 notes = "hrem image deconvolution on 3c-sic on si, distinguish
3964 @Article{hornstra58,
3965 title = "Dislocations in the diamond lattice",
3966 journal = "J. Phys. Chem. Solids",
3973 doi = "DOI: 10.1016/0022-3697(58)90138-0",
3974 URL = "http://www.sciencedirect.com/science/article/B6TXR-46MMPHJ-10D/2/7176c01c29cd4e73faa26ab2aacdcea5",
3975 author = "J. Hornstra",
3976 notes = "dislocations in diamond lattice",
3980 title = "Synthesis of $\beta$-Si{C} Layer in Silicon by Carbon
3981 Ion `Hot' Implantation",
3982 author = "Masahiro Deguchi and Makoto Kitabatake and Takashi
3983 Hirao and Naoki Arai and Tomio Izumi",
3984 journal = "Japanese J. Appl. Phys.",
3986 number = "Part 1, No. 2A",
3990 URL = "http://jjap.ipap.jp/link?JJAP/31/343/",
3991 doi = "10.1143/JJAP.31.343",
3992 publisher = "The Japan Society of Applied Physics",
3993 notes = "c-c bonds in c implanted si, hot implantation
3994 efficiency, c-c hard to break by thermal annealing",
3997 @Article{eichhorn99,
3998 author = "F. Eichhorn and N. Schell and W. Matz and R.
4001 title = "Strain and Si{C} particle formation in silicon
4002 implanted with carbon ions of medium fluence studied by
4003 synchrotron x-ray diffraction",
4006 journal = "J. Appl. Phys.",
4009 pages = "4184--4187",
4010 keywords = "silicon; carbon; elemental semiconductors; chemical
4011 interdiffusion; ion implantation; X-ray diffraction;
4012 precipitation; semiconductor doping",
4013 URL = "http://link.aip.org/link/?JAP/86/4184/1",
4014 doi = "10.1063/1.371344",
4015 notes = "sic conversion by ibs, detected substitutional carbon,
4016 expansion of si lattice",
4019 @Article{eichhorn02,
4020 author = "F. Eichhorn and N. Schell and A. M{\"{u}}cklich and H.
4021 Metzger and W. Matz and R. K{\"{o}}gler",
4023 title = "Structural relation between Si and Si{C} formed by
4024 carbon ion implantation",
4027 journal = "J. Appl. Phys.",
4030 pages = "1287--1292",
4031 keywords = "silicon compounds; wide band gap semiconductors; ion
4032 implantation; annealing; X-ray scattering; transmission
4033 electron microscopy",
4034 URL = "http://link.aip.org/link/?JAP/91/1287/1",
4035 doi = "10.1063/1.1428105",
4036 notes = "3c-sic alignement to si host in ibs depending on
4037 temperature, might explain c into c sub trafo",
4041 author = "G Lucas and M Bertolus and L Pizzagalli",
4042 title = "An environment-dependent interatomic potential for
4043 silicon carbide: calculation of bulk properties,
4044 high-pressure phases, point and extended defects, and
4045 amorphous structures",
4046 journal = "J. Phys.: Condens. Matter",
4050 URL = "http://stacks.iop.org/0953-8984/22/i=3/a=035802",
4056 author = "J Godet and L Pizzagalli and S Brochard and P
4058 title = "Comparison between classical potentials and ab initio
4059 methods for silicon under large shear",
4060 journal = "J. Phys.: Condens. Matter",
4064 URL = "http://stacks.iop.org/0953-8984/15/i=41/a=004",
4066 notes = "comparison of empirical potentials, stillinger weber,
4067 edip, tersoff, ab initio",
4070 @Article{moriguchi98,
4071 title = "Verification of Tersoff's Potential for Static
4072 Structural Analysis of Solids of Group-{IV} Elements",
4073 author = "Koji Moriguchi and Akira Shintani",
4074 journal = "Japanese J. Appl. Phys.",
4076 number = "Part 1, No. 2",
4080 URL = "http://jjap.ipap.jp/link?JJAP/37/414/",
4081 doi = "10.1143/JJAP.37.414",
4082 publisher = "The Japan Society of Applied Physics",
4083 notes = "tersoff stringent test",
4086 @Article{mazzarolo01,
4087 title = "Low-energy recoils in crystalline silicon: Quantum
4089 author = "Massimiliano Mazzarolo and Luciano Colombo and Giorgio
4090 Lulli and Eros Albertazzi",
4091 journal = "Phys. Rev. B",
4098 doi = "10.1103/PhysRevB.63.195207",
4099 publisher = "American Physical Society",
4102 @Article{holmstroem08,
4103 title = "Threshold defect production in silicon determined by
4104 density functional theory molecular dynamics
4106 author = "E. Holmstr{\"o}m and A. Kuronen and K. Nordlund",
4107 journal = "Phys. Rev. B",
4114 doi = "10.1103/PhysRevB.78.045202",
4115 publisher = "American Physical Society",
4116 notes = "threshold displacement comparison empirical and ab
4120 @Article{nordlund97,
4121 title = "Repulsive interatomic potentials calculated using
4122 Hartree-Fock and density-functional theory methods",
4123 journal = "Nucl. Instrum. Methods Phys. Res. B",
4130 doi = "DOI: 10.1016/S0168-583X(97)00447-3",
4131 URL = "http://www.sciencedirect.com/science/article/B6TJN-4CP0TGF-91/2/1a9100c0aae82d2d258fc83dfdba23c1",
4132 author = "K. Nordlund and N. Runeberg and D. Sundholm",
4133 notes = "repulsive ab initio potential",
4137 title = "Efficiency of ab-initio total energy calculations for
4138 metals and semiconductors using a plane-wave basis
4140 journal = "Comput. Mater. Sci.",
4147 doi = "DOI: 10.1016/0927-0256(96)00008-0",
4148 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74",
4149 author = "G. Kresse and J. Furthm{\"{u}}ller",
4154 title = "Projector augmented-wave method",
4155 author = "P. E. Bl{\"o}chl",
4156 journal = "Phys. Rev. B",
4159 pages = "17953--17979",
4163 doi = "10.1103/PhysRevB.50.17953",
4164 publisher = "American Physical Society",
4165 notes = "paw method",
4168 @InCollection{cohen70,
4169 title = "The Fitting of Pseudopotentials to Experimental Data
4170 and Their Subsequent Application",
4171 editor = "Frederick Seitz Henry Ehrenreich and David Turnbull",
4172 publisher = "Academic Press",
4176 series = "Solid State Physics",
4178 doi = "DOI: 10.1016/S0081-1947(08)60070-3",
4179 URL = "http://www.sciencedirect.com/science/article/B8GXT-4S9NXKG-9/2/ba01db77c8b19c2bab01506d4ea571b3",
4180 author = "Marvin L. Cohen and Volker Heine",
4184 title = "Nanostructures: Theory and Modelling",
4185 author = "Christophe Delerue and Michel Lannoo",
4187 publisher = "Springer",
4191 title = "Development of a nanoelectronic 3-{D} ({NEMO} 3-{D})
4192 simulator for multimillion atom simulations and its
4193 application to alloyed quantum dots",
4194 author = "Gerhard Klimeck and Fabiano Oyafuso and Timothy B
4195 Boykin and R Chris Bowen and Paul von Allmen",
4197 journal = "Comput. Modeling Eng. Sci.",
4203 title = "Atomistic simulation of realistically sized
4204 nanodevices using {NEMO} 3-{D}¿Part {I}: Models and
4206 author = "Gerhard Klimeck and Shaikh Shahid Ahmed and Hansang
4207 Bae and Neerav Kharche and Steve Clark and Benjamin
4208 Haley and Sunhee Lee and Maxim Naumov and Hoon Ryu and
4209 Faisal Saied and others",
4210 journal = "Electron Devices, IEEE Transactions on",
4213 pages = "2079--2089",
4219 title = "Norm-Conserving Pseudopotentials",
4220 author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
4221 journal = "Phys. Rev. Lett.",
4224 pages = "1494--1497",
4228 doi = "10.1103/PhysRevLett.43.1494",
4229 publisher = "American Physical Society",
4230 notes = "norm-conserving pseudopotentials",
4233 @Article{kleinman82,
4234 journal = "Phys. Rev. Lett.",
4236 doi = "10.1103/PhysRevLett.48.1425",
4238 author = "Leonard Kleinman and D. M. Bylander",
4239 title = "Efficacious Form for Model Pseudopotentials",
4241 URL = "http://link.aps.org/doi/10.1103/PhysRevLett.48.1425",
4242 publisher = "American Physical Society",
4243 pages = "1425--1428",
4247 @Article{troullier91,
4248 title = "Efficient pseudopotentials for plane-wave
4250 author = "N. Troullier and Jos\'e Luriaas Martins",
4251 journal = "Phys. Rev. B",
4254 pages = "1993--2006",
4258 doi = "10.1103/PhysRevB.43.1993",
4259 publisher = "American Physical Society",
4262 @Article{vanderbilt90,
4263 title = "Soft self-consistent pseudopotentials in a generalized
4264 eigenvalue formalism",
4265 author = "David Vanderbilt",
4266 journal = "Phys. Rev. B",
4269 pages = "7892--7895",
4273 doi = "10.1103/PhysRevB.41.7892",
4274 publisher = "American Physical Society",
4275 notes = "vasp pseudopotentials",
4278 @Article{ceperley80,
4279 title = "Ground State of the Electron Gas by a Stochastic
4281 author = "D. M. Ceperley and B. J. Alder",
4282 journal = "Phys. Rev. Lett.",
4289 doi = "10.1103/PhysRevLett.45.566",
4290 publisher = "American Physical Society",
4294 title = "Self-interaction correction to density-functional
4295 approximations for many-electron systems",
4296 author = "J. P. Perdew and Alex Zunger",
4297 journal = "Phys. Rev. B",
4300 pages = "5048--5079",
4304 doi = "10.1103/PhysRevB.23.5048",
4305 publisher = "American Physical Society",
4309 title = "Accurate and simple density functional for the
4310 electronic exchange energy: Generalized gradient
4312 author = "John P. Perdew and Yue Wang",
4313 journal = "Phys. Rev. B",
4316 pages = "8800--8802",
4320 doi = "10.1103/PhysRevB.33.8800",
4321 publisher = "American Physical Society",
4322 notes = "rapid communication gga",
4326 title = "Generalized gradient approximations for exchange and
4327 correlation: {A} look backward and forward",
4328 journal = "Physica B",
4335 doi = "DOI: 10.1016/0921-4526(91)90409-8",
4336 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8GR9-3D/2/18e610a616e4d80b934079c89063ece7",
4337 author = "John P. Perdew",
4338 notes = "gga overview",
4342 title = "Atoms, molecules, solids, and surfaces: Applications
4343 of the generalized gradient approximation for exchange
4345 author = "John P. Perdew and J. A. Chevary and S. H. Vosko and
4346 Koblar A. Jackson and Mark R. Pederson and D. J. Singh
4347 and Carlos Fiolhais",
4348 journal = "Phys. Rev. B",
4351 pages = "6671--6687",
4355 doi = "10.1103/PhysRevB.46.6671",
4356 publisher = "American Physical Society",
4357 notes = "gga pw91 (as in vasp)",
4361 title = "Special Points in the Brillouin Zone",
4362 author = "D. J. Chadi and Marvin L. Cohen",
4363 journal = "Phys. Rev. B",
4366 pages = "5747--5753",
4370 doi = "10.1103/PhysRevB.8.5747",
4371 publisher = "American Physical Society",
4374 @Article{baldereschi73,
4375 title = "Mean-Value Point in the Brillouin Zone",
4376 author = "A. Baldereschi",
4377 journal = "Phys. Rev. B",
4380 pages = "5212--5215",
4384 doi = "10.1103/PhysRevB.7.5212",
4385 publisher = "American Physical Society",
4386 notes = "mean value k point",
4389 @Article{monkhorst76,
4390 title = "Special points for Brillouin-zone integrations",
4391 author = "Hendrik J. Monkhorst and James D. Pack",
4392 journal = "Phys. Rev. B",
4395 pages = "5188--5192",
4399 doi = "10.1103/PhysRevB.13.5188",
4400 publisher = "American Physical Society",
4404 title = "Ab initio pseudopotential calculations of dopant
4406 journal = "Comput. Mater. Sci.",
4413 doi = "DOI: 10.1016/S0927-0256(98)00023-8",
4414 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VB7F2K-7/2/aa864582273be8e054300efb7bd16a1b",
4415 author = "Jing Zhu",
4416 keywords = "TED (transient enhanced diffusion)",
4417 keywords = "Boron dopant",
4418 keywords = "Carbon dopant",
4419 keywords = "Defect",
4420 keywords = "ab initio pseudopotential method",
4421 keywords = "Impurity cluster",
4422 notes = "binding of c to si interstitial, c in si defects",
4426 author = "A. Nejim and P. L. F. Hemment and J. Stoemenos",
4428 title = "Si{C} buried layer formation by ion beam synthesis at
4432 journal = "Appl. Phys. Lett.",
4435 pages = "2646--2648",
4436 keywords = "SILICON; ION IMPLANTATION; CARBON IONS; SILICON
4437 CARBIDES; BURIED LAYERS; SYNTHESIS; KEV RANGE 100 --
4438 1000; CRYSTAL DEFECTS; MORPHOLOGY; RBS; TRANSMISSION
4439 ELECTRON MICROSCOPY",
4440 URL = "http://link.aip.org/link/?APL/66/2646/1",
4441 doi = "10.1063/1.113112",
4442 notes = "precipitation mechanism by substitutional carbon, si
4443 self interstitials react with further implanted c",
4447 author = "C. Guedj and M. W. Dashiell and L. Kulik and J.
4448 Kolodzey and A. Hairie",
4450 title = "Precipitation of beta-Si{C} in Si[sub 1 - y]{C}[sub y]
4454 journal = "J. Appl. Phys.",
4457 pages = "4631--4633",
4458 keywords = "silicon compounds; precipitation; localised modes;
4459 semiconductor epitaxial layers; infrared spectra;
4460 Fourier transform spectra; thermal stability;
4462 URL = "http://link.aip.org/link/?JAP/84/4631/1",
4463 doi = "10.1063/1.368703",
4464 notes = "coherent 3C-SiC, topotactic, critical coherence size",
4468 author = "R Jones and B J Coomer and P R Briddon",
4469 title = "Quantum mechanical modelling of defects in
4471 journal = "J. Phys.: Condens. Matter",
4475 URL = "http://stacks.iop.org/0953-8984/16/i=27/a=004",
4477 notes = "ab inito dft intro, vibrational modes, c defect in
4482 doi = "10.1103/RevModPhys.61.689",
4485 author = "R. O. Jones and O. Gunnarsson",
4487 URL = "http://link.aps.org/doi/10.1103/RevModPhys.61.689",
4488 publisher = "American Physical Society",
4489 title = "The density functional formalism, its applications and
4492 journal = "Rev. Mod. Phys.",
4494 notes = "dft intro",
4498 author = "S. Y. Park and J. D'Arcy-Gall and D. Gall and J. A. N.
4499 T Soares and Y.-W. Kim and H. Kim and P. Desjardins and
4500 J. E. Greene and S. G. Bishop",
4502 title = "Carbon incorporation pathways and lattice sites in
4503 Si[sub 1 - y]{C}[sub y] alloys grown on Si(001) by
4504 molecular-beam epitaxy",
4507 journal = "J. Appl. Phys.",
4510 pages = "5716--5727",
4511 URL = "http://link.aip.org/link/?JAP/91/5716/1",
4512 doi = "10.1063/1.1465122",
4513 notes = "c substitutional incorporation pathway, dft and expt",
4517 title = "Dynamic properties of interstitial carbon and
4518 carbon-carbon pair defects in silicon",
4519 author = "P. Leary and R. Jones and S. {\"O}berg and V. J. B.
4521 journal = "Phys. Rev. B",
4524 pages = "2188--2194",
4528 doi = "10.1103/PhysRevB.55.2188",
4529 publisher = "American Physical Society",
4530 notes = "ab initio c in si and di-carbon defect, no formation
4531 energies, different migration barriers and paths",
4535 title = "Interstitial carbon and the carbon-carbon pair in
4536 silicon: Semiempirical electronic-structure
4538 author = "Matthew J. Burnard and Gary G. DeLeo",
4539 journal = "Phys. Rev. B",
4542 pages = "10217--10225",
4546 doi = "10.1103/PhysRevB.47.10217",
4547 publisher = "American Physical Society",
4548 notes = "semi empirical mndo, pm3 and mindo3 c in si and di
4549 carbon defect, formation energies",
4553 title = "Electronic structure of interstitial carbon in
4555 author = "Morgan Besson and Gary G. DeLeo",
4556 journal = "Phys. Rev. B",
4559 pages = "4028--4033",
4563 doi = "10.1103/PhysRevB.43.4028",
4564 publisher = "American Physical Society",
4568 title = "Review of atomistic simulations of surface diffusion
4569 and growth on semiconductors",
4570 journal = "Comput. Mater. Sci.",
4575 note = "Proceedings of the Workshop on Virtual Molecular Beam
4578 doi = "DOI: 10.1016/0927-0256(96)00030-4",
4579 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VSFF1G-7/2/afc8408b00ded1ca2dc3ad1686c2dae6",
4580 author = "Efthimios Kaxiras",
4581 notes = "might contain c 100 db formation energy, overview md,
4582 tight binding, first principles",
4585 @Article{kaukonen98,
4586 title = "Effect of {N} and {B} doping on the growth of {CVD}
4588 $(100):{H}(2\ifmmode\times\else\texttimes\fi{}1)$
4590 author = "M. Kaukonen and P. K. Sitch and G. Jungnickel and R.
4591 M. Nieminen and Sami P{\"o}ykk{\"o} and D. Porezag and
4593 journal = "Phys. Rev. B",
4596 pages = "9965--9970",
4600 doi = "10.1103/PhysRevB.57.9965",
4601 publisher = "American Physical Society",
4602 notes = "constrained conjugate gradient relaxation technique
4607 title = "Correlation between the antisite pair and the ${DI}$
4609 author = "A. Gali and P. De\'ak and E. Rauls and N. T. Son and
4610 I. G. Ivanov and F. H. C. Carlsson and E. Janz\'en and
4612 journal = "Phys. Rev. B",
4619 doi = "10.1103/PhysRevB.67.155203",
4620 publisher = "American Physical Society",
4624 title = "Production and recovery of defects in Si{C} after
4625 irradiation and deformation",
4626 journal = "J. Nucl. Mater.",
4629 pages = "1803--1808",
4633 doi = "DOI: 10.1016/S0022-3115(98)00139-1",
4634 URL = "http://www.sciencedirect.com/science/article/B6TXN-43G486N-47/2/56905f48f025ab98e5de4d6cde09c62b",
4635 author = "J. Chen and P. Jung and H. Klein",
4639 title = "Accumulation, dynamic annealing and thermal recovery
4640 of ion-beam-induced disorder in silicon carbide",
4641 journal = "Nucl. Instrum. Methods Phys. Res. B",
4648 doi = "DOI: 10.1016/S0168-583X(00)00542-5",
4649 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KH7Y-2R/2/8acc176700c95bb8614d96c40cfc5577",
4650 author = "W. J. Weber and W. Jiang and S. Thevuthasan",
4653 @Article{bockstedte03,
4654 title = "Ab initio study of the migration of intrinsic defects
4656 author = "Michel Bockstedte and Alexander Mattausch and Oleg
4658 journal = "Phys. Rev. B",
4665 doi = "10.1103/PhysRevB.68.205201",
4666 publisher = "American Physical Society",
4667 notes = "defect migration in sic",
4671 title = "Theoretical study of vacancy diffusion and
4672 vacancy-assisted clustering of antisites in Si{C}",
4673 author = "E. Rauls and Th. Frauenheim and A. Gali and P.
4675 journal = "Phys. Rev. B",
4682 doi = "10.1103/PhysRevB.68.155208",
4683 publisher = "American Physical Society",
4687 journal = "Telegrafiya i Telefoniya bez Provodov",
4691 author = "O. V. Lossev",
4695 title = "Luminous carborundum detector and detection effect and
4696 oscillations with crystals",
4697 journal = "Philos. Mag. Series 7",
4700 pages = "1024--1044",
4702 URL = "http://www.informaworld.com/10.1080/14786441108564683",
4703 author = "O. V. Lossev",
4707 journal = "Physik. Zeitschr.",
4711 author = "O. V. Lossev",
4715 journal = "Physik. Zeitschr.",
4719 author = "O. V. Lossev",
4723 journal = "Physik. Zeitschr.",
4727 author = "O. V. Lossev",
4731 title = "A note on carborundum",
4732 journal = "Electrical World",
4736 author = "H. J. Round",
4739 @Article{vashishath08,
4740 title = "Recent trends in silicon carbide device research",
4741 journal = "Mj. Int. J. Sci. Tech.",
4746 author = "Munish Vashishath and Ashoke K. Chatterjee",
4747 URL = "http://www.doaj.org/doaj?func=abstract&id=286746",
4748 notes = "sic polytype electronic properties",
4752 author = "W. E. Nelson and F. A. Halden and A. Rosengreen",
4754 title = "Growth and Properties of beta-Si{C} Single Crystals",
4757 journal = "J. Appl. Phys.",
4761 URL = "http://link.aip.org/link/?JAP/37/333/1",
4762 doi = "10.1063/1.1707837",
4763 notes = "sic melt growth",
4767 author = "A. E. van Arkel and J. H. de Boer",
4768 title = "Darstellung von reinem Titanium-, Zirkonium-, Hafnium-
4770 publisher = "WILEY-VCH Verlag GmbH",
4772 journal = "Z. Anorg. Chem.",
4775 URL = "http://dx.doi.org/10.1002/zaac.19251480133",
4776 doi = "10.1002/zaac.19251480133",
4777 notes = "van arkel apparatus",
4781 author = "K. Moers",
4783 journal = "Z. Anorg. Chem.",
4786 notes = "sic by van arkel apparatus, pyrolitical vapor growth
4791 author = "J. T. Kendall",
4792 title = "Electronic Conduction in Silicon Carbide",
4795 journal = "J. Chem. Phys.",
4799 URL = "http://link.aip.org/link/?JCP/21/821/1",
4800 notes = "sic by van arkel apparatus, pyrolitical vapor growth
4805 author = "J. A. Lely",
4807 journal = "Ber. Deut. Keram. Ges.",
4810 notes = "lely sublimation growth process",
4813 @Article{knippenberg63,
4814 author = "W. F. Knippenberg",
4816 journal = "Philips Res. Repts.",
4819 notes = "acheson process",
4822 @Article{hoffmann82,
4823 author = "L. Hoffmann and G. Ziegler and D. Theis and C.
4826 title = "Silicon carbide blue light emitting diodes with
4827 improved external quantum efficiency",
4830 journal = "J. Appl. Phys.",
4833 pages = "6962--6967",
4834 keywords = "light emitting diodes; silicon carbides; quantum
4835 efficiency; visible radiation; experimental data;
4836 epitaxy; fabrication; medium temperature; layers;
4837 aluminium; nitrogen; substrates; pn junctions;
4838 electroluminescence; spectra; current density;
4840 URL = "http://link.aip.org/link/?JAP/53/6962/1",
4841 doi = "10.1063/1.330041",
4842 notes = "blue led, sublimation process",
4846 author = "Philip Neudeck",
4847 affiliation = "NASA Lewis Research Center M.S. 77-1, 21000 Brookpark
4848 Road 44135 Cleveland OH",
4849 title = "Progress in silicon carbide semiconductor electronics
4851 journal = "J. Electron. Mater.",
4852 publisher = "Springer Boston",
4854 keyword = "Chemistry and Materials Science",
4858 URL = "http://dx.doi.org/10.1007/BF02659688",
4859 note = "10.1007/BF02659688",
4861 notes = "sic data, advantages of 3c sic",
4864 @InProceedings{pribble02,
4865 author = "W. L. Pribble and J. W. Palmour and S. T. Sheppard and
4866 R. P. Smith and S. T. Allen and T. J. Smith and Z. Ring
4867 and J. J. Sumakeris and A. W. Saxler and J. W.
4869 booktitle = "2002 IEEE MTT-S International Microwave Symposium
4871 title = "Applications of Si{C} {MESFET}s and Ga{N} {HEMT}s in
4872 power amplifier design",
4877 pages = "1819--1822",
4878 doi = "10.1109/MWSYM.2002.1012216",
4883 @InProceedings{temcamani01,
4884 author = "F. Temcamani and P. Pouvil and O. Noblanc and C.
4885 Brylinski and P. Bannelier and B. Darges and J. P.
4887 booktitle = "2001 IEEE MTT-S International Microwave Symposium
4889 title = "Silicon carbide {MESFET}s performances and application
4890 in broadcast power amplifiers",
4896 doi = "10.1109/MWSYM.2001.966976",
4902 author = "Gerhard Pensl and Michael Bassler and Florin Ciobanu
4903 and Valeri Afanas'ev and Hiroshi Yano and Tsunenobu
4904 Kimoto and Hiroyuki Matsunami",
4905 title = "Traps at the Si{C}/Si{O2}-Interface",
4906 journal = "MRS Proc.",
4911 doi = "10.1557/PROC-640-H3.2",
4912 URL = "http://dx.doi.org/10.1557/PROC-640-H3.2",
4915 @Article{bhatnagar93,
4916 author = "M. Bhatnagar and B. J. Baliga",
4917 journal = "IEEE Trans. Electron Devices",
4918 title = "Comparison of 6{H}-Si{C}, 3{C}-Si{C}, and Si for power
4925 keywords = "3C-SiC;50 to 5000 V;6H-SiC;Schottky
4926 rectifiers;Si;SiC;breakdown voltages;drift region
4927 properties;output characteristics;power MOSFETs;power
4928 semiconductor devices;switching characteristics;thermal
4929 analysis;Schottky-barrier diodes;electric breakdown of
4930 solids;insulated gate field effect transistors;power
4931 transistors;semiconductor materials;silicon;silicon
4932 compounds;solid-state rectifiers;thermal analysis;",
4933 doi = "10.1109/16.199372",
4935 notes = "comparison 3c 6h sic and si devices",
4939 author = "Sei-Hyung Ryu and A. K. Agarwal and R. Singh and J. W.
4941 journal = "IEEE Electron Device Lett.",
4942 title = "1800 {V} {NPN} bipolar junction transistors in
4949 keywords = "1800 V;4H-SiC high-voltage n-p-n bipolar junction
4950 transistor;SiC;blocking voltage;current gain;deep level
4951 acceptor;minority carrier lifetime;on-resistance;power
4952 switching device;temperature coefficient;carrier
4953 lifetime;deep levels;minority carriers;power bipolar
4954 transistors;silicon compounds;wide band gap
4956 doi = "10.1109/55.910617",
4961 author = "B. J. Baliga",
4962 journal = "IEEE Trans. Electron Devices",
4963 title = "Trends in power semiconductor devices",
4968 pages = "1717--1731",
4969 keywords = "DMOS technology;GTO;GaAs;IGBT;MOS-gated
4970 devices;MOS-gated thyristors;MPS rectifier;PIN
4971 rectifier;Schottky rectifier;Si;SiC;SiC based
4972 switches;TMBS rectifier;UMOS technology;VMOS
4973 technology;bipolar power transistor;high voltage power
4974 rectifiers;low voltage power rectifiers;power
4975 MOSFET;power losses;power semiconductor devices;power
4976 switch technology;review;semiconductor device
4977 technology;MOS-controlled thyristors;bipolar transistor
4978 switches;field effect transistor switches;gallium
4979 arsenide;insulated gate bipolar transistors;p-i-n
4980 diodes;power bipolar transistors;power field effect
4981 transistors;power semiconductor devices;power
4982 semiconductor diodes;power semiconductor
4983 switches;reviews;silicon;silicon compounds;solid-state
4984 rectifiers;thyristors;",
4985 doi = "10.1109/16.536818",
4989 @Article{bhatnagar92,
4990 author = "M. Bhatnagar and P. K. McLarty and B. J. Baliga",
4991 journal = "IEEE Electron Device Lett.",
4992 title = "Silicon-carbide high-voltage (400 {V}) Schottky
4999 keywords = "1.1 V;25 to 200 C;400 V;6H-SiC;Pt-SiC;Schottky barrier
5001 voltages;characteristics;fabrication;forward I-V
5002 characteristics;forward voltage drop;on-state current
5003 density;rectifiers;reverse I-V characteristics;reverse
5004 recovery characteristics;sharp breakdown;temperature
5005 range;Schottky-barrier diodes;platinum;power
5006 electronics;semiconductor materials;silicon
5007 compounds;solid-state rectifiers;",
5008 doi = "10.1109/55.192814",
5013 author = "P. G. Neudeck and D. J. Larkin and J. E. Starr and J.
5014 A. Powell and C. S. Salupo and L. G. Matus",
5015 journal = "IEEE Trans. Electron Devices",
5016 title = "Electrical properties of epitaxial 3{C}- and
5017 6{H}-Si{C} p-n junction diodes produced side-by-side on
5018 6{H}-Si{C} substrates",
5024 keywords = "20 nA;200 micron;300 to 1100 V;3C-SiC layers;400
5025 C;6H-SiC layers;6H-SiC substrates;CVD
5026 process;SiC;chemical vapor deposition;doping;electrical
5027 properties;epitaxial layers;light
5028 emission;low-tilt-angle 6H-SiC substrates;p-n junction
5029 diodes;polytype;rectification characteristics;reverse
5030 leakage current;reverse voltages;temperature;leakage
5031 currents;power electronics;semiconductor
5032 diodes;semiconductor epitaxial layers;semiconductor
5033 growth;semiconductor materials;silicon
5034 compounds;solid-state rectifiers;substrates;vapour
5035 phase epitaxial growth;",
5036 doi = "10.1109/16.285038",
5038 notes = "comparison 6h 3c sic, cvd of 3c and 6h on single 6h
5043 author = "C. E. Weitzel and J. W. Palmour and Jr. {Carter, C.H.}
5044 and K. Moore and K. K. Nordquist and S. Allen and C.
5045 Thero and M. Bhatnagar",
5046 journal = "IEEE Trans. Electron Devices",
5047 title = "Silicon carbide high-power devices",
5052 pages = "1732--1741",
5053 keywords = "1200 V;1400 V;4H-SiC;500 MHz to 32 GHz;57 W;Schottky
5054 barrier diodes;SiC;SiC devices;UMOSFET;current
5055 density;high electric breakdown field;high saturated
5056 electron drift velocity;high thermal
5057 conductivity;high-power devices;packaged SIT;submicron
5058 gate length MESFET;Schottky diodes;current
5059 density;electric breakdown;power MESFET;power
5060 MOSFET;power semiconductor devices;power semiconductor
5061 diodes;reviews;silicon compounds;static induction
5062 transistors;wide band gap semiconductors;",
5063 doi = "10.1109/16.536819",
5065 notes = "high power devices",
5069 author = "Lin Zhu and T. P. Chow",
5070 journal = "IEEE Trans. Electron Devices",
5071 title = "Advanced High-Voltage 4{H}-Si{C} Schottky Rectifiers",
5076 pages = "1871--1874",
5077 keywords = "H-SiC;OFF-state characteristics;ON-state
5078 characteristics;blocking capability;high-voltage
5079 Schottky rectifier;junction barrier Schottky
5080 rectifier;lateral channel JBS rectifier;leakage
5081 current;pinlike reverse characteristics;Schottky
5082 barriers;Schottky diodes;leakage currents;rectifying
5084 doi = "10.1109/TED.2008.926642",
5089 author = "D. M. Brown and E. T. Downey and M. Ghezzo and J. W.
5090 Kretchmer and R. J. Saia and Y. S. Liu and J. A. Edmond
5091 and G. Gati and J. M. Pimbley and W. E. Schneider",
5092 journal = "IEEE Trans. Electron Devices",
5093 title = "Silicon carbide {UV} photodiodes",
5099 keywords = "200 to 400 nm;6H epitaxial layers;SiC photodiodes;UV
5100 responsivity characteristics;low dark current;low light
5101 level UV detection;quantum
5102 efficiency;reproducibility;reverse current
5103 leakage;short circuit output current;leakage
5104 currents;photodiodes;semiconductor
5105 materials;short-circuit currents;silicon
5106 compounds;ultraviolet detectors;",
5107 doi = "10.1109/16.182509",
5109 notes = "sic photo diodes, uv detector",
5113 author = "Feng Yan and Xiaobin Xin and S. Aslam and Yuegang Zhao
5114 and D. Franz and J. H. Zhao and M. Weiner",
5115 journal = "IEEE J. Quantum Electron.",
5116 title = "4{H}-Si{C} {UV} photo detectors with large area and
5117 very high specific detectivity",
5122 pages = "1315--1320",
5123 keywords = "-1 V; 1.2E-14 A; 210 to 350 nm; 4H-SiC UV
5124 photodetectors; 5 mm; Pt/4H-SiC Schottky photodiodes;
5125 SiC-Pt; leakage current; photoresponse spectra; quantum
5126 efficiency; specific detectivity; Schottky diodes;
5127 photodetectors; platinum; silicon compounds; wide band
5128 gap semiconductors;",
5129 doi = "10.1109/JQE.2004.833196",
5131 notes = "uv detector",
5135 author = "N. Schulze and D. L. Barrett and G. Pensl",
5137 title = "Near-equilibrium growth of micropipe-free 6{H}-Si{C}
5138 single crystals by physical vapor transport",
5141 journal = "Appl. Phys. Lett.",
5144 pages = "1632--1634",
5145 keywords = "silicon compounds; semiconductor materials;
5146 semiconductor growth; crystal growth from vapour;
5147 photoluminescence; Hall mobility",
5148 URL = "http://link.aip.org/link/?APL/72/1632/1",
5149 doi = "10.1063/1.121136",
5150 notes = "micropipe free 6h-sic pvt growth",
5154 author = "F. C. Frank",
5155 title = "Capillary equilibria of dislocated crystals",
5156 journal = "Acta Crystallogr.",
5162 doi = "10.1107/S0365110X51001690",
5163 URL = "http://dx.doi.org/10.1107/S0365110X51001690",
5164 notes = "micropipe",
5168 author = "J. Heindl and H. P. Strunk and V. D. Heydemann and G.
5170 title = "Micropipes: Hollow Tubes in Silicon Carbide",
5171 journal = "phys. status solidi (a)",
5174 publisher = "WILEY-VCH Verlag",
5176 URL = "http://dx.doi.org/10.1002/1521-396X(199707)162:1<251::AID-PSSA251>3.0.CO;2-7",
5177 doi = "10.1002/1521-396X(199707)162:1<251::AID-PSSA251>3.0.CO;2-7",
5180 notes = "micropipe",
5183 @Article{neudeck94_2,
5184 author = "P. G. Neudeck and J. A. Powell",
5185 journal = "IEEE Electron Device Lett.",
5186 title = "Performance limiting micropipe defects in silicon
5193 keywords = "SiC;defect density;device ratings;epitaxially-grown pn
5194 junction devices;micropipe defects;power devices;power
5195 semiconductors;pre-avalanche reverse-bias point
5196 failures;p-n homojunctions;power
5197 electronics;semiconductor materials;silicon
5199 doi = "10.1109/55.285372",
5204 author = "P. Pirouz and C. M. Chorey and J. A. Powell",
5206 title = "Antiphase boundaries in epitaxially grown beta-Si{C}",
5209 journal = "Appl. Phys. Lett.",
5213 keywords = "SILICON CARBIDES; DOMAIN STRUCTURE; SCANNING ELECTRON
5214 MICROSCOPY; NUCLEATION; EPITAXIAL LAYERS; CHEMICAL
5215 VAPOR DEPOSITION; ETCHING; ETCH PITS; TRANSMISSION
5216 ELECTRON MICROSCOPY; ELECTRON MICROSCOPY; ANTIPHASE
5218 URL = "http://link.aip.org/link/?APL/50/221/1",
5219 doi = "10.1063/1.97667",
5220 notes = "apb 3c-sic heteroepitaxy on si",
5223 @Article{shibahara86,
5224 title = "Surface morphology of cubic Si{C}(100) grown on
5225 Si(100) by chemical vapor deposition",
5226 journal = "J. Cryst. Growth",
5233 doi = "DOI: 10.1016/0022-0248(86)90158-2",
5234 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46D26F7-1R/2/cfdbc7607352f3bc99d321303e3934e9",
5235 author = "Kentaro Shibahara and Shigehiro Nishino and Hiroyuki
5237 notes = "defects in 3c-sis cvd on si, anti phase boundaries",
5240 @Article{desjardins96,
5241 author = "P. Desjardins and J. E. Greene",
5243 title = "Step-flow epitaxial growth on two-domain surfaces",
5246 journal = "J. Appl. Phys.",
5249 pages = "1423--1434",
5250 keywords = "ADATOMS; COMPUTERIZED SIMULATION; DIFFUSION; EPITAXY;
5251 FILM GROWTH; SURFACE STRUCTURE",
5252 URL = "http://link.aip.org/link/?JAP/79/1423/1",
5253 doi = "10.1063/1.360980",
5254 notes = "apb model",
5258 author = "S. Henke and B. Stritzker and B. Rauschenbach",
5260 title = "Synthesis of epitaxial beta-Si{C} by {C}[sub 60]
5261 carbonization of silicon",
5264 journal = "J. Appl. Phys.",
5267 pages = "2070--2073",
5268 keywords = "SILICON CARBIDES; THIN FILMS; EPITAXY; CARBONIZATION;
5269 FULLERENES; ANNEALING; XRD; RBS; TWINNING; CRYSTAL
5271 URL = "http://link.aip.org/link/?JAP/78/2070/1",
5272 doi = "10.1063/1.360184",
5273 notes = "ssmbe of sic on si, lower temperatures",
5277 title = "Atomic layer epitaxy of cubic Si{C} by gas source
5278 {MBE} using surface superstructure",
5279 journal = "J. Cryst. Growth",
5286 doi = "DOI: 10.1016/0022-0248(89)90442-9",
5287 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46DFS6F-GF/2/a8e0abaef892c6d96992ff4751fdeda2",
5288 author = "Takashi Fuyuki and Michiaki Nakayama and Tatsuo
5289 Yoshinobu and Hiromu Shiomi and Hiroyuki Matsunami",
5290 notes = "gas source mbe of 3c-sic on 6h-sic",
5293 @Article{yoshinobu92,
5294 author = "Tatsuo Yoshinobu and Hideaki Mitsui and Iwao Izumikawa
5295 and Takashi Fuyuki and Hiroyuki Matsunami",
5297 title = "Lattice-matched epitaxial growth of single crystalline
5298 3{C}-Si{C} on 6{H}-Si{C} substrates by gas source
5299 molecular beam epitaxy",
5302 journal = "Appl. Phys. Lett.",
5306 keywords = "SILICON CARBIDES; HOMOJUNCTIONS; MOLECULAR BEAM
5307 EPITAXY; TWINNING; RHEED; TEMPERATURE EFFECTS;
5308 INTERFACE STRUCTURE",
5309 URL = "http://link.aip.org/link/?APL/60/824/1",
5310 doi = "10.1063/1.107430",
5311 notes = "gas source mbe of 3c-sic on 6h-sic",
5314 @Article{yoshinobu90,
5315 title = "Atomic level control in gas source {MBE} growth of
5317 journal = "J. Cryst. Growth",
5324 doi = "DOI: 10.1016/0022-0248(90)90575-6",
5325 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46YKT9W-HY/2/04dd57af2f42ee620895844e480a2736",
5326 author = "Tatsuo Yoshinobu and Michiaki Nakayama and Hiromu
5327 Shiomi and Takashi Fuyuki and Hiroyuki Matsunami",
5328 notes = "gas source mbe of 3c-sic on 3c-sic",
5332 title = "Atomic layer epitaxy controlled by surface
5333 superstructures in Si{C}",
5334 journal = "Thin Solid Films",
5341 doi = "DOI: 10.1016/0040-6090(93)90159-M",
5342 URL = "http://www.sciencedirect.com/science/article/B6TW0-46NY79X-40/2/c9675e1d8c4bcebc7ce7d06e44e14f1f",
5343 author = "Takashi Fuyuki and Tatsuo Yoshinobu and Hiroyuki
5345 notes = "gas source mbe of 3c-sic on 3c-sic, atomic layer
5350 title = "Microscopic mechanisms of accurate layer-by-layer
5351 growth of [beta]-Si{C}",
5352 journal = "Thin Solid Films",
5359 doi = "DOI: 10.1016/0040-6090(93)90162-I",
5360 URL = "http://www.sciencedirect.com/science/article/B6TW0-46NY79X-43/2/18694bfe0e75b1f29a3cf5f90d19987c",
5361 author = "Shiro Hara and T. Meguro and Y. Aoyagi and M. Kawai
5362 and S. Misawa and E. Sakuma and S. Yoshida",
5363 notes = "gas source mbe of 3c-sic on 3c-sic, atomic layer
5368 author = "Satoru Tanaka and R. Scott Kern and Robert F. Davis",
5370 title = "Effects of gas flow ratio on silicon carbide thin film
5371 growth mode and polytype formation during gas-source
5372 molecular beam epitaxy",
5375 journal = "Appl. Phys. Lett.",
5378 pages = "2851--2853",
5379 keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; RHEED;
5380 TRANSMISSION ELECTRON MICROSCOPY; MORPHOLOGY;
5381 NUCLEATION; COALESCENCE; SURFACE RECONSTRUCTION; GAS
5383 URL = "http://link.aip.org/link/?APL/65/2851/1",
5384 doi = "10.1063/1.112513",
5385 notes = "gas source mbe of 6h-sic on 6h-sic",
5389 author = "T. Fuyuki and T. Hatayama and H. Matsunami",
5390 title = "Heterointerface Control and Epitaxial Growth of
5391 3{C}-Si{C} on Si by Gas Source Molecular Beam Epitaxy",
5392 publisher = "WILEY-VCH Verlag",
5394 journal = "phys. status solidi (b)",
5397 notes = "3c-sic heteroepitaxial growth on si by gsmbe, lower
5402 title = "Initial stage of Si{C} growth on Si(1 0 0) surface",
5403 journal = "J. Cryst. Growth",
5410 doi = "DOI: 10.1016/S0022-0248(97)00391-6",
5411 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3W8STD4-V/2/8de695de037d5e20b8326c4107547918",
5412 author = "T. Takaoka and H. Saito and Y. Igari and I. Kusunoki",
5413 keywords = "Reflection high-energy electron diffraction (RHEED)",
5414 keywords = "Scanning electron microscopy (SEM)",
5415 keywords = "Silicon carbide",
5416 keywords = "Silicon",
5417 keywords = "Island growth",
5418 notes = "lower temperature, 550-700",
5421 @Article{hatayama95,
5422 title = "Low-temperature heteroepitaxial growth of cubic Si{C}
5423 on Si using hydrocarbon radicals by gas source
5424 molecular beam epitaxy",
5425 journal = "J. Cryst. Growth",
5432 doi = "DOI: 10.1016/0022-0248(95)80077-P",
5433 URL = "http://www.sciencedirect.com/science/article/B6TJ6-47RY2F6-1P/2/49acd5c4545dd9fd3486f70a6c25586e",
5434 author = "Tomoaki Hatayama and Yoichiro Tarui and Takashi Fuyuki
5435 and Hiroyuki Matsunami",
5439 author = "Volker Heine and Ching Cheng and Richard J. Needs",
5440 title = "The Preference of Silicon Carbide for Growth in the
5441 Metastable Cubic Form",
5442 journal = "J. Am. Ceram. Soc.",
5445 publisher = "Blackwell Publishing Ltd",
5447 URL = "http://dx.doi.org/10.1111/j.1151-2916.1991.tb06811.x",
5448 doi = "10.1111/j.1151-2916.1991.tb06811.x",
5449 pages = "2630--2633",
5450 keywords = "silicon carbide, crystal growth, crystal structure,
5451 calculations, stability",
5453 notes = "3c-sic metastable, 3c-sic preferred growth, sic
5454 polytype dft calculation refs",
5457 @Article{allendorf91,
5458 title = "The adsorption of {H}-atoms on polycrystalline
5459 [beta]-silicon carbide",
5460 journal = "Surf. Sci.",
5467 doi = "DOI: 10.1016/0039-6028(91)90912-C",
5468 URL = "http://www.sciencedirect.com/science/article/B6TVX-46T3BSB-24V/2/534f1f4786088ceb88b6d31eccb096b3",
5469 author = "Mark D. Allendorf and Duane A. Outka",
5470 notes = "h adsorption on 3c-sic",
5473 @Article{eaglesham93,
5474 author = "D. J. Eaglesham and F. C. Unterwald and H. Luftman and
5475 D. P. Adams and S. M. Yalisove",
5477 title = "Effect of {H} on Si molecular-beam epitaxy",
5480 journal = "J. Appl. Phys.",
5483 pages = "6615--6618",
5484 keywords = "SILICON; MOLECULAR BEAM EPITAXY; HYDROGEN; SURFACE
5485 CONTAMINATION; SIMS; SEGREGATION; IMPURITIES;
5486 DIFFUSION; ADSORPTION",
5487 URL = "http://link.aip.org/link/?JAP/74/6615/1",
5488 doi = "10.1063/1.355101",
5489 notes = "h incorporation on si surface, lower surface
5494 author = "Ronald C. Newman",
5495 title = "Carbon in Crystalline Silicon",
5496 journal = "MRS Proc.",
5501 doi = "10.1557/PROC-59-403",
5502 URL = "http://dx.doi.org/10.1557/PROC-59-403",
5503 eprint = "http://journals.cambridge.org/article_S194642740054367X",
5507 title = "The diffusivity of carbon in silicon",
5508 journal = "J. Phys. Chem. Solids",
5515 doi = "DOI: 10.1016/0022-3697(61)90032-4",
5516 URL = "http://www.sciencedirect.com/science/article/B6TXR-46M72R1-4D/2/9235472e4c0a95bf7b995769474f5fbd",
5517 author = "R. C. Newman and J. Wakefield",
5518 notes = "diffusivity of substitutional c in si",
5522 author = "U. Gösele",
5523 title = "The Role of Carbon and Point Defects in Silicon",
5524 journal = "MRS Proc.",
5529 doi = "10.1557/PROC-59-419",
5530 URL = "http://dx.doi.org/10.1557/PROC-59-419",
5531 eprint = "http://journals.cambridge.org/article_S1946427400543681",
5534 @Article{mukashev82,
5535 title = "Defects in Carbon-Implanted Silicon",
5536 author = "Bulat N. Mukashev and Alexey V. Spitsyn and Noboru
5537 Fukuoka and Haruo Saito",
5538 journal = "Japanese J. Appl. Phys.",
5540 number = "Part 1, No. 2",
5544 URL = "http://jjap.jsap.jp/link?JJAP/21/399/",
5545 doi = "10.1143/JJAP.21.399",
5546 publisher = "The Japan Society of Applied Physics",
5550 title = "Convergence of supercell calculations for point
5551 defects in semiconductors: Vacancy in silicon",
5552 author = "M. J. Puska and S. P{\"o}ykk{\"o} and M. Pesola and R.
5554 journal = "Phys. Rev. B",
5557 pages = "1318--1325",
5561 doi = "10.1103/PhysRevB.58.1318",
5562 publisher = "American Physical Society",
5563 notes = "convergence k point supercell size, vacancy in
5568 author = "C. Serre and A. P\'{e}rez-Rodr\'{\i}guez and A.
5569 Romano-Rodr\'{\i}guez and J. R. Morante and R.
5570 K{\"{o}}gler and W. Skorupa",
5572 title = "Spectroscopic characterization of phases formed by
5573 high-dose carbon ion implantation in silicon",
5576 journal = "J. Appl. Phys.",
5579 pages = "2978--2984",
5580 keywords = "SILICON; ION IMPLANTATION; PHASE STUDIES; CARBON IONS;
5581 FOURIER TRANSFORM SPECTROSCOPY; RAMAN SPECTRA;
5582 PHOTOELECTRON SPECTROSCOPY; TEM; TEMPERATURE
5583 DEPENDENCE; PRECIPITATES; ANNEALING",
5584 URL = "http://link.aip.org/link/?JAP/77/2978/1",
5585 doi = "10.1063/1.358714",
5588 @Article{romano-rodriguez96,
5589 title = "Detailed analysis of [beta]-Si{C} formation by high
5590 dose carbon ion implantation in silicon",
5591 journal = "Materials Science and Engineering B",
5596 note = "European Materials Research Society 1995 Spring
5597 Meeting, Symposium N: Carbon, Hydrogen, Nitrogen, and
5598 Oxygen in Silicon and in Other Elemental
5601 doi = "DOI: 10.1016/0921-5107(95)01283-4",
5602 URL = "http://www.sciencedirect.com/science/article/B6TXF-3VR7691-25/2/995fd57b9e5c1100558f80c472620408",
5603 author = "A. Romano-Rodriguez and C. Serre and L. Calvo-Barrio
5604 and A. Pérez-Rodríguez and J. R. Morante and R. Kögler
5606 keywords = "Silicon",
5607 keywords = "Ion implantation",
5608 notes = "incoherent 3c-sic precipitate",
5611 @Article{davidson75,
5612 title = "The iterative calculation of a few of the lowest
5613 eigenvalues and corresponding eigenvectors of large
5614 real-symmetric matrices",
5615 journal = "J. Comput. Phys.",
5622 doi = "DOI: 10.1016/0021-9991(75)90065-0",
5623 URL = "http://www.sciencedirect.com/science/article/pii/0021999175900650",
5624 author = "Ernest R. Davidson",
5628 title = "Minima Moralia: Reflexionen aus dem besch{\"a}digten
5630 author = "T. W. Adorno",
5631 ISBN = "978-3-518-01236-9",
5632 URL = "http://books.google.com/books?id=coZqRAAACAAJ",
5634 publisher = "Suhrkamp",
5637 @Misc{attenberger03,
5638 author = "Wilfried Attenberger and Jörg Lindner and Bernd
5640 title = "A {method} {for} {forming} {a} {layered}
5641 {semiconductor} {structure} {and} {corresponding}
5646 note = "WO 2003/034484 A3R4",
5648 howpublished = "Patent Application",
5650 filing_num = "EP0211423",
5655 ipc_class = "7B 81C 1/00 B; 7H 01L 21/04 B; 7H 01L 21/265 B; 7H 01L
5656 21/322 B; 7H 01L 21/324 B; 7H 01L 21/74 A; 7H 01L
5657 21/762 B; 7H 01L 29/165 B; 7H 01L 33/00 B",
5659 abstract = "The following invention provides a method for forming
5660 a layered semiconductor structure having a layer (5) of
5661 a first semiconductor material on a substrate (1; 1')
5662 of at least one second semiconductor material,
5663 comprising the steps of: providing said substrate (1;
5664 1'); burying said layer (5) of said first semiconductor
5665 material in said substrate (1; 1'), said buried layer
5666 (5) having an upper surface (105) and a lower surface
5667 (105) and dividing said substrate (1; 1') into an upper
5668 part (1a) and a lower part (1b; 1b', 1c); creating a
5669 buried damage layer (10; 10'; 10'', 100'') which at
5670 least partly adjoins and/or at least partly includes
5671 said upper surface (105) of said buried layer (5); and
5672 removing said upper part (1a) of said substrate (1; 1')
5673 and said buried damage layer (10; 10'; 10'', 100'') for
5674 exposing said buried layer (5). The invention also
5675 provides a corresponding layered semiconductor
5680 author = "Alex Zunger",
5681 title = "Pseudopotential Theory of Semiconductor Quantum Dots",
5682 journal = "phys. status solidi (b)",
5685 publisher = "WILEY-VCH Verlag Berlin GmbH",
5687 URL = "http://dx.doi.org/10.1002/(SICI)1521-3951(200104)224:3<727::AID-PSSB727>3.0.CO;2-9",
5688 doi = "10.1002/(SICI)1521-3951(200104)224:3<727::AID-PSSB727>3.0.CO;2-9",
5690 keywords = "71.15.Dx, 73.21.La, S5.11, S5.12, S7.11, S7.12, S8.11,
5693 notes = "configuration-interaction method, ci",
5697 author = "Alex Zunger",
5698 title = "On the Farsightedness (hyperopia) of the Standard k ·
5700 journal = "phys. status solidi (a)",
5703 publisher = "WILEY-VCH Verlag Berlin GmbH",
5705 URL = "http://dx.doi.org/10.1002/1521-396X(200204)190:2<467::AID-PSSA467>3.0.CO;2-4",
5706 doi = "10.1002/1521-396X(200204)190:2<467::AID-PSSA467>3.0.CO;2-4",
5708 keywords = "73.20.At, 73.21.Cd, 73.21.La, 73.22.¿b, 78.20.Bh",
5712 @Article{robertson90,
5713 author = "I. J. Robertson and M. C. Payne",
5714 title = "k-point sampling and the k.p method in pseudopotential
5715 total energy calculations",
5716 journal = "Journal of Physics: Condensed Matter",
5720 URL = "http://stacks.iop.org/0953-8984/2/i=49/a=010",
5722 notes = "kp method",
5727 journal = "Phys. Rev. B",
5728 author = "Bj{\"o}rn Lange and Christoph Freysoldt and J{\"o}rg
5731 URL = "http://link.aps.org/doi/10.1103/PhysRevB.84.085101",
5732 doi = "10.1103/PhysRevB.84.085101",
5734 title = "Construction and performance of fully numerical
5735 optimum atomic basis sets",
5737 publisher = "American Physical Society",
5740 notes = "quamol, basis set, for planc",
5745 journal = "Phys. Rev. A",
5746 author = "Emilio Artacho and Lorenzo Mil\'ans del Bosch",
5748 URL = "http://link.aps.org/doi/10.1103/PhysRevA.43.5770",
5749 doi = "10.1103/PhysRevA.43.5770",
5751 title = "Nonorthogonal basis sets in quantum mechanics:
5752 Representations and second quantization",
5754 publisher = "American Physical Society",
5755 pages = "5770--5777",
5756 notes = "non-orthogonal basis set",
5760 author = "E. Artacho and D. Sánchez-Portal and P. Ordejón and
5761 A. García and J. M. Soler",
5762 title = "Linear-Scaling ab-initio Calculations for Large and
5764 journal = "physica status solidi (b)",
5767 publisher = "WILEY-VCH Verlag",
5769 URL = "http://dx.doi.org/10.1002/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0.CO;2-0",
5770 doi = "10.1002/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0.CO;2-0",
5776 author = "Per-Olov L{\"{o}}wdin",
5778 title = "On the Non-Orthogonality Problem Connected with the
5779 Use of Atomic Wave Functions in the Theory of Molecules
5783 journal = "The Journal of Chemical Physics",
5787 URL = "http://link.aip.org/link/?JCP/18/365/1",
5788 doi = "10.1063/1.1747632",
5789 notes = "non orthogonal basis set",
5793 author = "Per-Olov Löwdin",
5794 title = "Studies in perturbation theory {XIII}. Treatment of
5795 constants of motion in resolvent method, partitioning
5796 technique, and perturbation theory",
5797 journal = "International Journal of Quantum Chemistry",
5800 publisher = "John Wiley & Sons, Inc.",
5802 URL = "http://dx.doi.org/10.1002/qua.560020612",
5803 doi = "10.1002/qua.560020612",
5810 journal = "Phys. Rev. B",
5811 author = "D. J. Chadi",
5813 URL = "http://link.aps.org/doi/10.1103/PhysRevB.16.3572",
5814 doi = "10.1103/PhysRevB.16.3572",
5816 title = "Localized-orbital description of wave functions and
5817 energy bands in semiconductors",
5819 publisher = "American Physical Society",
5820 pages = "3572--3578",
5821 notes = "localized orbitals",
5826 journal = "Phys. Rev.",
5827 author = "E. Wigner and F. Seitz",
5829 URL = "http://link.aps.org/doi/10.1103/PhysRev.43.804",
5830 doi = "10.1103/PhysRev.43.804",
5832 title = "On the Constitution of Metallic Sodium",
5834 publisher = "American Physical Society",
5836 notes = "wigner seitz method",
5841 journal = "Phys. Rev.",
5842 author = "Conyers Herring",
5844 URL = "http://link.aps.org/doi/10.1103/PhysRev.57.1169",
5845 doi = "10.1103/PhysRev.57.1169",
5847 title = "A New Method for Calculating Wave Functions in
5850 publisher = "American Physical Society",
5851 pages = "1169--1177",
5852 notes = "orthogonalized plane wave method, opw",
5857 journal = "Phys. Rev.",
5858 author = "J. C. Slater",
5860 URL = "http://link.aps.org/doi/10.1103/PhysRev.92.603",
5861 doi = "10.1103/PhysRev.92.603",
5863 title = "An Augmented Plane Wave Method for the Periodic
5866 publisher = "American Physical Society",
5868 notes = "augmented plane wave method",
5871 @Article{phillips59,
5873 journal = "Phys. Rev.",
5874 author = "James C. Phillips and Leonard Kleinman",
5876 URL = "http://link.aps.org/doi/10.1103/PhysRev.116.287",
5877 doi = "10.1103/PhysRev.116.287",
5879 title = "New Method for Calculating Wave Functions in Crystals
5882 publisher = "American Physical Society",
5884 notes = "pseudo potential",
5889 journal = "Phys. Rev.",
5890 author = "B. J. Austin and V. Heine and L. J. Sham",
5892 URL = "http://link.aps.org/doi/10.1103/PhysRev.127.276",
5893 doi = "10.1103/PhysRev.127.276",
5895 title = "General Theory of Pseudopotentials",
5897 publisher = "American Physical Society",
5899 notes = "most general form of pseudo potential",
5904 journal = "Phys. Rev. B",
5905 author = "Xavier Gonze and Roland Stumpf and Matthias
5908 URL = "http://link.aps.org/doi/10.1103/PhysRevB.44.8503",
5909 doi = "10.1103/PhysRevB.44.8503",
5911 title = "Analysis of separable potentials",
5913 publisher = "American Physical Society",
5914 pages = "8503--8513",
5918 title = "{ABINIT}: First-principles approach to material and
5919 nanosystem properties",
5920 journal = "Computer Physics Communications",
5923 pages = "2582--2615",
5926 doi = "http://dx.doi.org/10.1016/j.cpc.2009.07.007",
5927 URL = "http://www.sciencedirect.com/science/article/pii/S0010465509002276",
5928 author = "X. Gonze and B. Amadon and P.-M. Anglade and J.-M.
5929 Beuken and F. Bottin and P. Boulanger and F. Bruneval
5930 and D. Caliste and R. Caracas and M. Côté and T.
5931 Deutsch and L. Genovese and Ph. Ghosez and M.
5932 Giantomassi and S. Goedecker and D. R. Hamann and P.
5933 Hermet and F. Jollet and G. Jomard and S. Leroux and M.
5934 Mancini and S. Mazevet and M. J. T. Oliveira and G.
5935 Onida and Y. Pouillon and T. Rangel and G.-M. Rignanese
5936 and D. Sangalli and R. Shaltaf and M. Torrent and M. J.
5937 Verstraete and G. Zerah and J. W. Zwanziger",
5942 journal = "Phys. Rev.",
5943 author = "Gregory H. Wannier",
5945 URL = "http://link.aps.org/doi/10.1103/PhysRev.52.191",
5946 doi = "10.1103/PhysRev.52.191",
5948 title = "The Structure of Electronic Excitation Levels in
5949 Insulating Crystals",
5951 publisher = "American Physical Society",
5957 journal = "Phys. Rev. B",
5958 author = "Nicola Marzari and David Vanderbilt",
5960 URL = "http://link.aps.org/doi/10.1103/PhysRevB.56.12847",
5961 doi = "10.1103/PhysRevB.56.12847",
5963 title = "Maximally localized generalized Wannier functions for
5964 composite energy bands",
5966 publisher = "American Physical Society",
5967 pages = "12847--12865",
5968 notes = "maximal general localized wannier orbitals",
5972 author = "P. A. M. Dirac",
5973 title = "The Quantum Theory of the Electron",
5978 doi = "10.1098/rspa.1928.0023",
5979 URL = "http://rspa.royalsocietypublishing.org/content/117/778/610.short",
5980 eprint = "http://rspa.royalsocietypublishing.org/content/117/778/610.full.pdf+html",
5981 journal = "Proceedings of the Royal Society of London. Series A",
5982 notes = "spin orbit origin, relativistic quantum theory",
5985 @Article{kleinman80,
5986 title = "Relativistic norm-conserving pseudopotential",
5987 author = "Leonard Kleinman",
5988 journal = "Phys. Rev. B",
5991 pages = "2630--2631",
5994 doi = "10.1103/PhysRevB.21.2630",
5995 URL = "http://link.aps.org/doi/10.1103/PhysRevB.21.2630",
5996 publisher = "American Physical Society",
5997 notes = "first relativistic pseudopotential",
6000 @Article{bachelet82,
6001 title = "Relativistic norm-conserving pseudopotentials",
6002 author = "Giovanni B. Bachelet and M. Schl{\"u}ter",
6003 journal = "Phys. Rev. B",
6006 pages = "2103--2108",
6009 doi = "10.1103/PhysRevB.25.2103",
6010 URL = "http://link.aps.org/doi/10.1103/PhysRevB.25.2103",
6011 publisher = "American Physical Society",
6014 @Article{hybertsen86,
6015 title = "Spin-orbit splitting in semiconductors and insulators
6016 from the \textit{ab initio} pseudopotential",
6017 author = "Mark S. Hybertsen and Steven G. Louie",
6018 journal = "Phys. Rev. B",
6021 pages = "2920--2922",
6024 doi = "10.1103/PhysRevB.34.2920",
6025 URL = "http://link.aps.org/doi/10.1103/PhysRevB.34.2920",
6026 publisher = "American Physical Society",
6027 notes = "spin orbit pseudopotential formulation",
6031 title = "Relativistic band structure and spin-orbit splitting
6032 of zinc-blende-type semiconductors",
6033 author = "M. Cardona and N. E. Christensen and G. Fasol",
6034 journal = "Phys. Rev. B",
6037 pages = "1806--1827",
6040 doi = "10.1103/PhysRevB.38.1806",
6041 URL = "http://link.aps.org/doi/10.1103/PhysRevB.38.1806",
6042 publisher = "American Physical Society",
6043 notes = "fully relativistic band structures of zinc blende
6047 @Article{hemstreet93,
6048 title = "First-principles calculations of spin-orbit splittings
6049 in solids using nonlocal separable pseudopotentials",
6050 author = "L. A. Hemstreet and C. Y. Fong and J. S. Nelson",
6051 journal = "Phys. Rev. B",
6054 pages = "4238--4243",
6057 doi = "10.1103/PhysRevB.47.4238",
6058 URL = "http://link.aps.org/doi/10.1103/PhysRevB.47.4238",
6059 publisher = "American Physical Society",
6063 title = "Real-space pseudopotential method for spin-orbit
6064 coupling within density functional theory",
6065 author = "Doron Naveh and Leeor Kronik and Murilo L. Tiago and
6066 James R. Chelikowsky",
6067 journal = "Phys. Rev. B",
6074 doi = "10.1103/PhysRevB.76.153407",
6075 URL = "http://link.aps.org/doi/10.1103/PhysRevB.76.153407",
6076 publisher = "American Physical Society",
6077 notes = "real space spin orbit pseudopotential implementation",
6080 @Article{verstraete08,
6081 title = "Density functional perturbation theory with spin-orbit
6082 coupling: Phonon band structure of lead",
6083 author = "Matthieu J. Verstraete and Marc Torrent and
6084 Fran\mbox{\c{c}}ois Jollet and Gilles Z\'erah and
6086 journal = "Phys. Rev. B",
6093 doi = "10.1103/PhysRevB.78.045119",
6094 URL = "http://link.aps.org/doi/10.1103/PhysRevB.78.045119",
6095 publisher = "American Physical Society",
6098 @Article{cuadrado12,
6099 author = "R. Cuadrado and J. I. Cerdá",
6100 title = "Fully relativistic pseudopotential formalism under an
6101 atomic orbital basis: spin-orbit splittings and
6102 magnetic anisotropies",
6103 journal = "Journal of Physics: Condensed Matter",
6107 URL = "http://stacks.iop.org/0953-8984/24/i=8/a=086005",
6112 title = "Parallel Empirical Pseudopotential Electronic
6113 Structure Calculations for Million Atom Systems",
6114 journal = "Journal of Computational Physics",
6121 doi = "http://dx.doi.org/10.1006/jcph.2000.6440",
6122 URL = "http://www.sciencedirect.com/science/article/pii/S0021999100964404",
6123 author = "A. Canning and L. W. Wang and A. Williamson and A.
6127 @Article{oliveira08,
6128 title = "Generating relativistic pseudo-potentials with
6129 explicit incorporation of semi-core states using {APE},
6130 the Atomic Pseudo-potentials Engine",
6131 journal = "Computer Physics Communications",
6138 doi = "http://dx.doi.org/10.1016/j.cpc.2007.11.003",
6139 URL = "http://www.sciencedirect.com/science/article/pii/S0010465507004651",
6140 author = "Micael J. T. Oliveira and Fernando Nogueira",
6141 keywords = "Pseudo-potential",
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