2 % bibliography database
6 author = "Paul Erhart and Karsten Albe",
7 title = "Analytical potential for atomistic simulations of
8 silicon, carbon, and silicon carbide",
11 journal = "Phys. Rev. B",
17 notes = "alble reparametrization, analytical bond oder
19 keywords = "silicon; elemental semiconductors; carbon; silicon
20 compounds; wide band gap semiconductors; elasticity;
21 enthalpy; point defects; crystallographic shear; atomic
23 URL = "http://link.aps.org/abstract/PRB/v71/e035211",
24 doi = "10.1103/PhysRevB.71.035211",
28 title = "Modeling the metal-semiconductor interaction:
29 Analytical bond-order potential for platinum-carbon",
30 author = "Karsten Albe and Kai Nordlund and Robert S. Averback",
31 journal = "Phys. Rev. B",
38 doi = "10.1103/PhysRevB.65.195124",
39 publisher = "American Physical Society",
40 notes = "derivation of albe bond order formalism",
44 title = "The solubility of carbon in pulled silicon crystals",
45 journal = "Journal of Physics and Chemistry of Solids",
52 doi = "DOI: 10.1016/S0022-3697(71)80179-8",
53 URL = "http://www.sciencedirect.com/science/article/B6TXR-4PR80SS-D/2/ce21d10d2bb885b5641905883a618ff5",
54 author = "A. R. Bean and R. C. Newman",
55 notes = "experimental solubility data of carbon in silicon",
59 author = "M. A. Capano and R. J. Trew",
60 title = "Silicon Carbide Electronic Materials and Devices",
61 journal = "MRS Bull.",
68 author = "G. R. Fisher and P. Barnes",
69 title = "Towards a unified view of polytypism in silicon
71 journal = "Philos. Mag. B",
75 notes = "sic polytypes",
79 author = "R. K{\"{o}}gler and F. Eichhorn and J. R. Kaschny and
80 A. M{\"{u}}cklich and H. Reuther and W. Skorupa and C.
81 Serre and A. Perez-Rodriguez",
82 title = "Synthesis of nano-sized Si{C} precipitates in Si by
83 simultaneous dual-beam implantation of {C}+ and Si+
85 journal = "Appl. Phys. A: Mater. Sci. Process.",
90 notes = "dual implantation, sic prec enhanced by vacancies,
91 precipitation by interstitial and substitutional
92 carbon, both mechanisms explained + refs",
96 title = "Carbon-mediated effects in silicon and in
97 silicon-related materials",
98 journal = "Materials Chemistry and Physics",
105 doi = "DOI: 10.1016/0254-0584(95)01673-I",
106 URL = "http://www.sciencedirect.com/science/article/B6TX4-3VR9V74-2/2/4ab972315eb79eaa76b55ffab5aed982",
107 author = "W. Skorupa and R. A. Yankov",
108 notes = "review of silicon carbon compound",
112 author = "P. S. de Laplace",
113 title = "Th\'eorie analytique des probabilit\'es",
114 series = "Oeuvres Compl\`etes de Laplace",
116 publisher = "Gauthier-Villars",
120 @Article{mattoni2007,
121 author = "A. {Mattoni} and M. {Ippolito} and L. {Colombo}",
122 title = "{Atomistic modeling of brittleness in covalent
124 journal = "Phys. Rev. B",
130 doi = "10.1103/PhysRevB.76.224103",
131 notes = "adopted tersoff potential for Si, C, Ge ad SiC;
132 longe(r)-range-interactions, brittle propagation of
133 fracture, more available potentials, universal energy
134 relation (uer), minimum range model (mrm)",
138 title = "Comparative study of silicon empirical interatomic
140 author = "H. Balamane and T. Halicioglu and W. A. Tiller",
141 journal = "Phys. Rev. B",
144 pages = "2250--2279",
148 doi = "10.1103/PhysRevB.46.2250",
149 publisher = "American Physical Society",
150 notes = "comparison of classical potentials for si",
154 title = "Stress relaxation in $a-Si$ induced by ion
156 author = "H. M. Urbassek M. Koster",
157 journal = "Phys. Rev. B",
160 pages = "11219--11224",
164 doi = "10.1103/PhysRevB.62.11219",
165 publisher = "American Physical Society",
166 notes = "virial derivation for 3-body tersoff potential",
169 @Article{breadmore99,
170 title = "Direct simulation of ion-beam-induced stressing and
171 amorphization of silicon",
172 author = "N. Gr\o{}nbech-Jensen K. M. Beardmore",
173 journal = "Phys. Rev. B",
176 pages = "12610--12616",
180 doi = "10.1103/PhysRevB.60.12610",
181 publisher = "American Physical Society",
182 notes = "virial derivation for 3-body tersoff potential",
186 author = "Henri Moissan",
187 title = "Nouvelles recherches sur la météorité de Cañon
189 journal = "Comptes rendus de l'Académie des Sciences",
196 author = "Y. S. Park",
197 title = "Si{C} Materials and Devices",
198 publisher = "Academic Press",
199 address = "San Diego",
204 author = "Valeri F. Tsvetkov and R. C. Glass and D. Henshall and
205 Calvin H. Carter Jr. and D. Asbury",
206 title = "Si{C} Seeded Boule Growth",
207 journal = "Materials Science Forum",
211 notes = "modified lely process, micropipes",
215 title = "Computer {"}Experiments{"} on Classical Fluids. {I}.
216 Thermodynamical Properties of Lennard-Jones Molecules",
217 author = "Loup Verlet",
218 journal = "Phys. Rev.",
224 doi = "10.1103/PhysRev.159.98",
225 publisher = "American Physical Society",
226 notes = "velocity verlet integration algorithm equation of
230 @Article{berendsen84,
231 author = "H. J. C. Berendsen and J. P. M. Postma and W. F. van
232 Gunsteren and A. DiNola and J. R. Haak",
234 title = "Molecular dynamics with coupling to an external bath",
237 journal = "J. Chem. Phys.",
240 pages = "3684--3690",
241 keywords = "MOLECULAR DYNAMICS CALCULATION; TRANSPORT THEORY;
242 COMPUTERIZED SIMULATION; LIQUIDS; STRUCTURE FACTORS",
243 URL = "http://link.aip.org/link/?JCP/81/3684/1",
244 doi = "10.1063/1.448118",
245 notes = "berendsen thermostat barostat",
249 author = "Hanchen Huang and N M Ghoniem and J K Wong and M
251 title = "Molecular dynamics determination of defect energetics
252 in beta -Si{C} using three representative empirical
254 journal = "Modell. Simul. Mater. Sci. Eng.",
258 URL = "http://stacks.iop.org/0965-0393/3/615",
259 notes = "comparison of tersoff, pearson and eam for defect
260 energetics in sic; (m)eam parameters for sic",
265 title = "Relationship between the embedded-atom method and
267 author = "Donald W. Brenner",
268 journal = "Phys. Rev. Lett.",
275 doi = "10.1103/PhysRevLett.63.1022",
276 publisher = "American Physical Society",
277 notes = "relation of tersoff and eam potential",
281 title = "Molecular-dynamics study of self-interstitials in
283 author = "Inder P. Batra and Farid F. Abraham and S. Ciraci",
284 journal = "Phys. Rev. B",
287 pages = "9552--9558",
291 doi = "10.1103/PhysRevB.35.9552",
292 publisher = "American Physical Society",
293 notes = "selft-interstitials in silicon, stillinger-weber,
294 calculation of defect formation energy, defect
299 title = "Extended interstitials in silicon and germanium",
300 author = "H. R. Schober",
301 journal = "Phys. Rev. B",
304 pages = "13013--13015",
308 doi = "10.1103/PhysRevB.39.13013",
309 publisher = "American Physical Society",
310 notes = "stillinger-weber silicon 110 stable and metastable
311 dumbbell configuration",
315 title = "Cascade overlap and amorphization in $3{C}-Si{C}:$
316 Defect accumulation, topological features, and
318 author = "F. Gao and W. J. Weber",
319 journal = "Phys. Rev. B",
326 doi = "10.1103/PhysRevB.66.024106",
327 publisher = "American Physical Society",
328 notes = "sic intro, si cascade in 3c-sic, amorphization,
329 tersoff modified, pair correlation of amorphous sic, md
333 @Article{devanathan98,
334 title = "Computer simulation of a 10 ke{V} Si displacement
336 journal = "Nucl. Instrum. Methods Phys. Res. B",
342 doi = "DOI: 10.1016/S0168-583X(98)00084-6",
343 author = "R. Devanathan and W. J. Weber and T. Diaz de la
345 notes = "modified tersoff short range potential, ab initio
349 @Article{devanathan98_2,
350 title = "Displacement threshold energies in [beta]-Si{C}",
351 journal = "J. Nucl. Mater.",
357 doi = "DOI: 10.1016/S0022-3115(97)00304-8",
358 author = "R. Devanathan and T. Diaz de la Rubia and W. J.
360 notes = "modified tersoff, ab initio, combined ab initio
364 @Article{kitabatake00,
365 title = "Si{C}/Si heteroepitaxial growth",
366 author = "M. Kitabatake",
367 journal = "Thin Solid Films",
372 notes = "md simulation, sic si heteroepitaxy, mbe",
376 title = "Intrinsic point defects in crystalline silicon:
377 Tight-binding molecular dynamics studies of
378 self-diffusion, interstitial-vacancy recombination, and
380 author = "M. Tang and L. Colombo and J. Zhu and T. Diaz de la
382 journal = "Phys. Rev. B",
385 pages = "14279--14289",
389 doi = "10.1103/PhysRevB.55.14279",
390 publisher = "American Physical Society",
391 notes = "si self interstitial, diffusion, tbmd",
395 author = "M. D. Johnson and M.-J. Caturla and T. D\'{\i}az de la
398 title = "A kinetic Monte--Carlo study of the effective
399 diffusivity of the silicon self-interstitial in the
400 presence of carbon and boron",
403 journal = "J. Appl. Phys.",
406 pages = "1963--1967",
407 keywords = "MONTE CARLO METHOD; DIFFUSION; SILICON; INTERSTITIALS;
408 CARBON ADDITIONS; BORON ADDITIONS; elemental
409 semiconductors; self-diffusion",
410 URL = "http://link.aip.org/link/?JAP/84/1963/1",
411 doi = "10.1063/1.368328",
412 notes = "kinetic monte carlo of si self interstitial
417 title = "Barrier to Migration of the Silicon
419 author = "Y. Bar-Yam and J. D. Joannopoulos",
420 journal = "Phys. Rev. Lett.",
423 pages = "1129--1132",
427 doi = "10.1103/PhysRevLett.52.1129",
428 publisher = "American Physical Society",
429 notes = "si self-interstitial migration barrier",
432 @Article{bar-yam84_2,
433 title = "Electronic structure and total-energy migration
434 barriers of silicon self-interstitials",
435 author = "Y. Bar-Yam and J. D. Joannopoulos",
436 journal = "Phys. Rev. B",
439 pages = "1844--1852",
443 doi = "10.1103/PhysRevB.30.1844",
444 publisher = "American Physical Society",
448 title = "First-principles calculations of self-diffusion
449 constants in silicon",
450 author = "Peter E. Bl{\"o}chl and Enrico Smargiassi and R. Car
451 and D. B. Laks and W. Andreoni and S. T. Pantelides",
452 journal = "Phys. Rev. Lett.",
455 pages = "2435--2438",
459 doi = "10.1103/PhysRevLett.70.2435",
460 publisher = "American Physical Society",
461 notes = "si self int diffusion by ab initio md, formation
462 entropy calculations",
466 title = "Tight-binding theory of native point defects in
468 author = "L. Colombo",
469 journal = "Annu. Rev. Mater. Res.",
474 doi = "10.1146/annurev.matsci.32.111601.103036",
475 publisher = "Annual Reviews",
476 notes = "si self interstitial, tbmd, virial stress",
479 @Article{al-mushadani03,
480 title = "Free-energy calculations of intrinsic point defects in
482 author = "O. K. Al-Mushadani and R. J. Needs",
483 journal = "Phys. Rev. B",
490 doi = "10.1103/PhysRevB.68.235205",
491 publisher = "American Physical Society",
492 notes = "formation energies of intrinisc point defects in
493 silicon, si self interstitials, free energy",
496 @Article{goedecker02,
497 title = "A Fourfold Coordinated Point Defect in Silicon",
498 author = "Stefan Goedecker and Thierry Deutsch and Luc Billard",
499 journal = "Phys. Rev. Lett.",
506 doi = "10.1103/PhysRevLett.88.235501",
507 publisher = "American Physical Society",
508 notes = "first time ffcd, fourfold coordinated point defect in
513 title = "Ab initio molecular dynamics simulation of
514 self-interstitial diffusion in silicon",
515 author = "Beat Sahli and Wolfgang Fichtner",
516 journal = "Phys. Rev. B",
523 doi = "10.1103/PhysRevB.72.245210",
524 publisher = "American Physical Society",
525 notes = "si self int, diffusion, barrier height, voronoi
530 title = "Ab initio calculations of the interaction between
531 native point defects in silicon",
532 journal = "Mater. Sci. Eng., B",
537 note = "EMRS 2005, Symposium D - Materials Science and Device
538 Issues for Future Technologies",
540 doi = "DOI: 10.1016/j.mseb.2005.08.072",
541 URL = "http://www.sciencedirect.com/science/article/B6TXF-4H6PKRB-3/2/e217bd3d7ee1fffee899eeb4a2f133a4",
542 author = "G. Hobler and G. Kresse",
543 notes = "vasp intrinsic si defect interaction study, capture
548 title = "Ab initio study of self-diffusion in silicon over a
549 wide temperature range: Point defect states and
550 migration mechanisms",
551 author = "Shangyi Ma and Shaoqing Wang",
552 journal = "Phys. Rev. B",
559 doi = "10.1103/PhysRevB.81.193203",
560 publisher = "American Physical Society",
561 notes = "si self interstitial diffusion + refs",
565 title = "Atomistic simulations on the thermal stability of the
566 antisite pair in 3{C}- and 4{H}-Si{C}",
567 author = "M. Posselt and F. Gao and W. J. Weber",
568 journal = "Phys. Rev. B",
575 doi = "10.1103/PhysRevB.73.125206",
576 publisher = "American Physical Society",
580 title = "Correlation between self-diffusion in Si and the
581 migration mechanisms of vacancies and
582 self-interstitials: An atomistic study",
583 author = "M. Posselt and F. Gao and H. Bracht",
584 journal = "Phys. Rev. B",
591 doi = "10.1103/PhysRevB.78.035208",
592 publisher = "American Physical Society",
593 notes = "si self-interstitial and vacancy diffusion, stillinger
598 title = "Ab initio and empirical-potential studies of defect
599 properties in $3{C}-Si{C}$",
600 author = "F. Gao and E. J. Bylaska and W. J. Weber and L. R.
602 journal = "Phys. Rev. B",
609 doi = "10.1103/PhysRevB.64.245208",
610 publisher = "American Physical Society",
611 notes = "defects in 3c-sic",
615 title = "Empirical potential approach for defect properties in
617 journal = "Nucl. Instrum. Methods Phys. Res. B",
624 doi = "DOI: 10.1016/S0168-583X(02)00600-6",
625 URL = "http://www.sciencedirect.com/science/article/B6TJN-453NR6B-G/2/e65b0730e94e13d66f72a2147b449ea7",
626 author = "Fei Gao and William J. Weber",
627 keywords = "Empirical potential",
628 keywords = "Defect properties",
629 keywords = "Silicon carbide",
630 keywords = "Computer simulation",
631 notes = "sic potential, brenner type, like erhart/albe",
635 title = "Atomistic study of intrinsic defect migration in
637 author = "Fei Gao and William J. Weber and M. Posselt and V.
639 journal = "Phys. Rev. B",
646 doi = "10.1103/PhysRevB.69.245205",
647 publisher = "American Physical Society",
648 notes = "defect migration in sic",
652 author = "F. Gao and J. Du and E. J. Bylaska and M. Posselt and
655 title = "Ab Initio atomic simulations of antisite pair recovery
656 in cubic silicon carbide",
659 journal = "Appl. Phys. Lett.",
665 keywords = "ab initio calculations; silicon compounds; antisite
666 defects; wide band gap semiconductors; molecular
667 dynamics method; density functional theory;
668 electron-hole recombination; photoluminescence;
669 impurities; diffusion",
670 URL = "http://link.aip.org/link/?APL/90/221915/1",
671 doi = "10.1063/1.2743751",
674 @Article{mattoni2002,
675 title = "Self-interstitial trapping by carbon complexes in
676 crystalline silicon",
677 author = "A. Mattoni and F. Bernardini and L. Colombo",
678 journal = "Phys. Rev. B",
685 doi = "10.1103/PhysRevB.66.195214",
686 publisher = "American Physical Society",
687 notes = "c in c-si, diffusion, interstitial configuration +
688 links, interaction of carbon and silicon interstitials,
689 tersoff suitability",
693 title = "Calculations of Silicon Self-Interstitial Defects",
694 author = "W.-K. Leung and R. J. Needs and G. Rajagopal and S.
696 journal = "Phys. Rev. Lett.",
699 pages = "2351--2354",
703 doi = "10.1103/PhysRevLett.83.2351",
704 publisher = "American Physical Society",
705 notes = "nice images of the defects, si defect overview +
710 title = "Identification of the migration path of interstitial
712 author = "R. B. Capaz and A. {Dal Pino} and J. D. Joannopoulos",
713 journal = "Phys. Rev. B",
716 pages = "7439--7442",
720 doi = "10.1103/PhysRevB.50.7439",
721 publisher = "American Physical Society",
722 notes = "carbon interstitial migration path shown, 001 c-si
727 title = "Theory of carbon-carbon pairs in silicon",
728 author = "R. B. Capaz and A. {Dal Pino} and J. D. Joannopoulos",
729 journal = "Phys. Rev. B",
732 pages = "9845--9850",
736 doi = "10.1103/PhysRevB.58.9845",
737 publisher = "American Physical Society",
738 notes = "c_i c_s pair configuration, theoretical results",
742 title = "Bistable interstitial-carbon--substitutional-carbon
744 author = "L. W. Song and X. D. Zhan and B. W. Benson and G. D.
746 journal = "Phys. Rev. B",
749 pages = "5765--5783",
753 doi = "10.1103/PhysRevB.42.5765",
754 publisher = "American Physical Society",
755 notes = "c_i c_s pair configuration, experimental results",
759 author = "Chun-Li Liu and Wolfgang Windl and Len Borucki and
760 Shifeng Lu and Xiang-Yang Liu",
762 title = "Ab initio modeling and experimental study of {C}--{B}
766 journal = "Appl. Phys. Lett.",
770 keywords = "silicon; boron; carbon; elemental semiconductors;
771 impurity-defect interactions; ab initio calculations;
772 secondary ion mass spectra; diffusion; interstitials",
773 URL = "http://link.aip.org/link/?APL/80/52/1",
774 doi = "10.1063/1.1430505",
775 notes = "c-c 100 split, lower as a and b states of capaz",
779 title = "Ab initio investigation of carbon-related defects in
781 author = "A. {Dal Pino} and Andrew M. Rappe and J. D.
783 journal = "Phys. Rev. B",
786 pages = "12554--12557",
790 doi = "10.1103/PhysRevB.47.12554",
791 publisher = "American Physical Society",
792 notes = "c interstitials in crystalline silicon",
796 title = "Microscopic Theory of Atomic Diffusion Mechanisms in
798 author = "Roberto Car and Paul J. Kelly and Atsushi Oshiyama and
799 Sokrates T. Pantelides",
800 journal = "Phys. Rev. Lett.",
803 pages = "1814--1817",
807 doi = "10.1103/PhysRevLett.52.1814",
808 publisher = "American Physical Society",
809 notes = "microscopic theory diffusion silicon dft migration
814 title = "Unified Approach for Molecular Dynamics and
815 Density-Functional Theory",
816 author = "R. Car and M. Parrinello",
817 journal = "Phys. Rev. Lett.",
820 pages = "2471--2474",
824 doi = "10.1103/PhysRevLett.55.2471",
825 publisher = "American Physical Society",
826 notes = "car parrinello method, dft and md",
830 title = "Short-range order, bulk moduli, and physical trends in
831 c-$Si1-x$$Cx$ alloys",
832 author = "P. C. Kelires",
833 journal = "Phys. Rev. B",
836 pages = "8784--8787",
840 doi = "10.1103/PhysRevB.55.8784",
841 publisher = "American Physical Society",
842 notes = "c strained si, montecarlo md, bulk moduli, next
847 title = "Monte Carlo Studies of Ternary Semiconductor Alloys:
848 Application to the $Si1-x-yGexCy$ System",
849 author = "P. C. Kelires",
850 journal = "Phys. Rev. Lett.",
853 pages = "1114--1117",
857 doi = "10.1103/PhysRevLett.75.1114",
858 publisher = "American Physical Society",
859 notes = "mc md, strain compensation in si ge by c insertion",
863 title = "Low temperature electron irradiation of silicon
865 journal = "Solid State Communications",
872 doi = "DOI: 10.1016/0038-1098(70)90074-8",
873 URL = "http://www.sciencedirect.com/science/article/B6TVW-46MF8S4-156/2/5f4d9c189a3d97227fde9214195aa081",
874 author = "A. R. Bean and R. C. Newman",
878 title = "{EPR} Observation of the Isolated Interstitial Carbon
880 author = "G. D. Watkins and K. L. Brower",
881 journal = "Phys. Rev. Lett.",
884 pages = "1329--1332",
888 doi = "10.1103/PhysRevLett.36.1329",
889 publisher = "American Physical Society",
890 notes = "epr observations of 100 interstitial carbon atom in
895 title = "{EPR} identification of the single-acceptor state of
896 interstitial carbon in silicon",
897 author = "L. W. Song and G. D. Watkins",
898 journal = "Phys. Rev. B",
901 pages = "5759--5764",
905 doi = "10.1103/PhysRevB.42.5759",
906 publisher = "American Physical Society",
907 notes = "carbon diffusion in silicon",
911 author = "A K Tipping and R C Newman",
912 title = "The diffusion coefficient of interstitial carbon in
914 journal = "Semicond. Sci. Technol.",
918 URL = "http://stacks.iop.org/0268-1242/2/315",
920 notes = "diffusion coefficient of carbon interstitials in
925 title = "Carbon incorporation into Si at high concentrations by
926 ion implantation and solid phase epitaxy",
927 author = "J. W. Strane and S. R. Lee and H. J. Stein and S. T.
928 Picraux and J. K. Watanabe and J. W. Mayer",
929 journal = "J. Appl. Phys.",
934 doi = "10.1063/1.360806",
935 notes = "strained silicon, carbon supersaturation",
938 @Article{laveant2002,
939 title = "Epitaxy of carbon-rich silicon with {MBE}",
940 journal = "Mater. Sci. Eng., B",
946 doi = "DOI: 10.1016/S0921-5107(01)00794-2",
947 URL = "http://www.sciencedirect.com/science/article/B6TXF-44YVPGS-1V/2/024ece074ad18ebbec62a39a2510a268",
948 author = "P. Lav\'eant and G. Gerth and P. Werner and U.
950 notes = "low c in si, tensile stress to compensate compressive
951 stress, avoid sic precipitation",
955 author = "P. Werner and S. Eichler and G. Mariani and R.
956 K{\"{o}}gler and W. Skorupa",
957 title = "Investigation of {C}[sub x]Si defects in {C} implanted
958 silicon by transmission electron microscopy",
961 journal = "Appl. Phys. Lett.",
965 keywords = "silicon; ion implantation; carbon; crystal defects;
966 transmission electron microscopy; annealing; positron
967 annihilation; secondary ion mass spectroscopy; buried
968 layers; precipitation",
969 URL = "http://link.aip.org/link/?APL/70/252/1",
970 doi = "10.1063/1.118381",
971 notes = "si-c complexes, agglomerate, sic in si matrix, sic
975 @InProceedings{werner96,
976 author = "P. Werner and R. K{\"{o}}gler and W. Skorupa and D.
978 booktitle = "Ion Implantation Technology. Proceedings of the 11th
979 International Conference on",
980 title = "{TEM} investigation of {C}-Si defects in carbon
987 doi = "10.1109/IIT.1996.586497",
989 notes = "c-si agglomerates dumbbells",
993 author = "P. Werner and U. G{\"{o}}sele and H.-J. Gossmann and
996 title = "Carbon diffusion in silicon",
999 journal = "Appl. Phys. Lett.",
1002 pages = "2465--2467",
1003 keywords = "silicon; carbon; elemental semiconductors; diffusion;
1004 secondary ion mass spectra; semiconductor epitaxial
1005 layers; annealing; impurity-defect interactions;
1006 impurity distribution",
1007 URL = "http://link.aip.org/link/?APL/73/2465/1",
1008 doi = "10.1063/1.122483",
1009 notes = "c diffusion in si, kick out mechnism",
1013 author = "J. W. Strane and H. J. Stein and S. R. Lee and S. T.
1014 Picraux and J. K. Watanabe and J. W. Mayer",
1016 title = "Precipitation and relaxation in strained Si[sub 1 -
1017 y]{C}[sub y]/Si heterostructures",
1020 journal = "J. Appl. Phys.",
1023 pages = "3656--3668",
1024 keywords = "SILICON CARBIDES; SILICON; PRECIPITATION; STRAINS",
1025 URL = "http://link.aip.org/link/?JAP/76/3656/1",
1026 doi = "10.1063/1.357429",
1027 notes = "strained si-c to 3c-sic, carbon nucleation + refs,
1028 precipitation by substitutional carbon, coherent prec,
1029 coherent to incoherent transition strain vs interface
1034 author = "G. G. Fischer and P. Zaumseil and E. Bugiel and H. J.
1037 title = "Investigation of the high temperature behavior of
1038 strained Si[sub 1 - y]{C}[sub y] /Si heterostructures",
1041 journal = "J. Appl. Phys.",
1044 pages = "1934--1937",
1045 keywords = "SILICON CARBIDES; SILICON; HETEROSTRUCTURES; STRAINS;
1046 XRD; MOLECULAR BEAM EPITAXY; STABILITY; TENSILE
1047 PROPERTIES; EPITAXIAL LAYERS; ANNEALING; PRECIPITATION;
1048 TEMPERATURE RANGE 04001000 K",
1049 URL = "http://link.aip.org/link/?JAP/77/1934/1",
1050 doi = "10.1063/1.358826",
1054 title = "Prospects for device implementation of wide band gap
1056 author = "J. H. Edgar",
1057 journal = "J. Mater. Res.",
1062 doi = "10.1557/JMR.1992.0235",
1063 notes = "properties wide band gap semiconductor, sic
1067 @Article{zirkelbach2007,
1068 title = "Monte Carlo simulation study of a selforganisation
1069 process leading to ordered precipitate structures",
1070 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1072 journal = "Nucl. Instr. and Meth. B",
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1085 title = "Monte-Carlo simulation study of the self-organization
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1087 during ion irradiation",
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1108 journal = "Comp. Mater. Sci.",
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1128 note = "EMRS 2008 Spring Conference Symposium K: Advanced
1129 Silicon Materials Research for Electronic and
1130 Photovoltaic Applications",
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1148 K. N. Lindner and W. G. Schmidt and E. Rauls",
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1187 journal = "Nucl. Instrum. Methods Phys. Res. B",
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1231 title = "High-dose carbon implantations into silicon:
1232 fundamental studies for new technological tricks",
1233 author = "J. K. N. Lindner",
1234 journal = "Appl. Phys. A",
1238 doi = "10.1007/s00339-002-2062-8",
1239 notes = "ibs, burried sic layers",
1243 title = "On the balance between ion beam induced nanoparticle
1244 formation and displacive precipitate resolution in the
1246 journal = "Mater. Sci. Eng., C",
1251 note = "Current Trends in Nanoscience - from Materials to
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1258 notes = "c int diffusion barrier",
1262 title = "Ion beam synthesis of 3{C}-Si{C} layers in Si and its
1263 application in buffer layer for Ga{N} epitaxial
1265 journal = "Applied Surface Science",
1270 note = "APHYS'03 Special Issue",
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1274 author = "Y. Ito and T. Yamauchi and A. Yamamoto and M. Sasase
1275 and S. Nishio and K. Yasuda and Y. Ishigami",
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1279 @Article{yamamoto04,
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1281 on a 3c-Si{C}/Si(1 1 1) template formed by {C}+-ion
1282 implantation into Si(1 1 1) substrate",
1283 journal = "Journal of Crystal Growth",
1288 note = "Proceedings of the 11th Biennial (US) Workshop on
1289 Organometallic Vapor Phase Epitaxy (OMVPE)",
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1295 notes = "gan on 3c-sic",
1299 title = "Substrates for gallium nitride epitaxy",
1300 journal = "Materials Science and Engineering: R: Reports",
1307 doi = "DOI: 10.1016/S0927-796X(02)00008-6",
1308 URL = "http://www.sciencedirect.com/science/article/B6TXH-45DFBSV-2/2/38c47e77fa91f23f8649a044e7135401",
1309 author = "L. Liu and J. H. Edgar",
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1313 @Article{takeuchi91,
1314 title = "Growth of single crystalline Ga{N} film on Si
1315 substrate using 3{C}-Si{C} as an intermediate layer",
1316 journal = "Journal of Crystal Growth",
1323 doi = "DOI: 10.1016/0022-0248(91)90817-O",
1324 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46FJ525-TY/2/7bb50016a50b1dd1dbc36b43c46b3140",
1325 author = "Tetsuya Takeuchi and Hiroshi Amano and Kazumasa
1326 Hiramatsu and Nobuhiko Sawaki and Isamu Akasaki",
1327 notes = "gan on 3c-sic (first time?)",
1331 author = "B. J. Alder and T. E. Wainwright",
1332 title = "Phase Transition for a Hard Sphere System",
1335 journal = "J. Chem. Phys.",
1338 pages = "1208--1209",
1339 URL = "http://link.aip.org/link/?JCP/27/1208/1",
1340 doi = "10.1063/1.1743957",
1344 author = "B. J. Alder and T. E. Wainwright",
1345 title = "Studies in Molecular Dynamics. {I}. General Method",
1348 journal = "J. Chem. Phys.",
1352 URL = "http://link.aip.org/link/?JCP/31/459/1",
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1359 author = "J. Tersoff",
1360 journal = "Phys. Rev. Lett.",
1367 doi = "10.1103/PhysRevLett.56.632",
1368 publisher = "American Physical Society",
1371 @Article{tersoff_si2,
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1378 pages = "6991--7000",
1382 doi = "10.1103/PhysRevB.37.6991",
1383 publisher = "American Physical Society",
1386 @Article{tersoff_si3,
1387 title = "Empirical interatomic potential for silicon with
1388 improved elastic properties",
1389 author = "J. Tersoff",
1390 journal = "Phys. Rev. B",
1393 pages = "9902--9905",
1397 doi = "10.1103/PhysRevB.38.9902",
1398 publisher = "American Physical Society",
1402 title = "Empirical Interatomic Potential for Carbon, with
1403 Applications to Amorphous Carbon",
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1405 journal = "Phys. Rev. Lett.",
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1417 title = "Modeling solid-state chemistry: Interatomic potentials
1418 for multicomponent systems",
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1420 journal = "Phys. Rev. B",
1423 pages = "5566--5568",
1427 doi = "10.1103/PhysRevB.39.5566",
1428 publisher = "American Physical Society",
1432 title = "Carbon defects and defect reactions in silicon",
1433 author = "J. Tersoff",
1434 journal = "Phys. Rev. Lett.",
1437 pages = "1757--1760",
1441 doi = "10.1103/PhysRevLett.64.1757",
1442 publisher = "American Physical Society",
1446 title = "Point defects and dopant diffusion in silicon",
1447 author = "P. M. Fahey and P. B. Griffin and J. D. Plummer",
1448 journal = "Rev. Mod. Phys.",
1455 doi = "10.1103/RevModPhys.61.289",
1456 publisher = "American Physical Society",
1460 title = "Silicon carbide: synthesis and processing",
1461 journal = "Nucl. Instrum. Methods Phys. Res. B",
1466 note = "Radiation Effects in Insulators",
1468 doi = "DOI: 10.1016/0168-583X(96)00065-1",
1469 URL = "http://www.sciencedirect.com/science/article/B6TJN-3VXHNFT-C7/2/4216cb1ec9e422c22de5fed7360fb06e",
1470 author = "W. Wesch",
1474 author = "H. Morko\c{c} and S. Strite and G. B. Gao and M. E.
1475 Lin and B. Sverdlov and M. Burns",
1477 title = "Large-band-gap Si{C}, {III}-{V} nitride, and {II}-{VI}
1478 ZnSe-based semiconductor device technologies",
1481 journal = "J. Appl. Phys.",
1484 pages = "1363--1398",
1485 keywords = "SEMICONDUCTOR DEVICES; SILICON CARBIDES; GALLIUM
1486 NITRIDES; ZINC SELENIDES; SUBSTRATES; MOS JUNCTIONS;
1487 LASER MATERIALS; MATERIALS; REVIEWS; ENERGY GAP; THIN
1489 URL = "http://link.aip.org/link/?JAP/76/1363/1",
1490 doi = "10.1063/1.358463",
1491 notes = "sic intro, properties",
1495 author = "Noch Unbekannt",
1496 title = "How to find references",
1497 journal = "Journal of Applied References",
1504 title = "Atomistic simulation of thermomechanical properties of
1506 author = "Meijie Tang and Sidney Yip",
1507 journal = "Phys. Rev. B",
1510 pages = "15150--15159",
1513 doi = "10.1103/PhysRevB.52.15150",
1514 notes = "modified tersoff, scale cutoff with volume, promising
1515 tersoff reparametrization",
1516 publisher = "American Physical Society",
1520 title = "Silicon carbide as a new {MEMS} technology",
1521 journal = "Sensors and Actuators A: Physical",
1527 doi = "DOI: 10.1016/S0924-4247(99)00335-0",
1528 URL = "http://www.sciencedirect.com/science/article/B6THG-406VM55-13/2/75385a587669b215d9ef88029a93fd59",
1529 author = "Pasqualina M. Sarro",
1531 keywords = "Silicon carbide",
1532 keywords = "Micromachining",
1533 keywords = "Mechanical stress",
1537 title = "Status of silicon carbide (Si{C}) as a wide-bandgap
1538 semiconductor for high-temperature applications: {A}
1540 journal = "Solid-State Electronics",
1543 pages = "1409--1422",
1546 doi = "DOI: 10.1016/0038-1101(96)00045-7",
1547 URL = "http://www.sciencedirect.com/science/article/B6TY5-3VSR9J0-1/2/a871c11636e937dc45bfdf48e29f725b",
1548 author = "J. B. Casady and R. W. Johnson",
1549 notes = "sic intro",
1552 @Article{giancarli98,
1553 title = "Design requirements for Si{C}/Si{C} composites
1554 structural material in fusion power reactor blankets",
1555 journal = "Fusion Engineering and Design",
1561 doi = "DOI: 10.1016/S0920-3796(97)00200-7",
1562 URL = "http://www.sciencedirect.com/science/article/B6V3C-3V8RYK8-T/2/16949194114900fd1330f79892d7a7be",
1563 author = "L. Giancarli and J. P. Bonal and A. Caso and G. Le
1564 Marois and N. B. Morley and J. F. Salavy",
1568 title = "Electrical and optical characterization of Si{C}",
1569 journal = "Physica B: Condensed Matter",
1575 doi = "DOI: 10.1016/0921-4526(93)90249-6",
1576 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8HRX-99/2/eab9398bf2bbf10df3ae42c2ab28a776",
1577 author = "G. Pensl and W. J. Choyke",
1581 title = "Investigation of growth processes of ingots of silicon
1582 carbide single crystals",
1583 journal = "J. Cryst. Growth",
1588 notes = "modified lely process",
1590 doi = "DOI: 10.1016/0022-0248(78)90169-0",
1591 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BY2NR-7S/2/fa6fee78ebd8322491f6366e72d5b6dc",
1592 author = "Yu. M. Tairov and V. F. Tsvetkov",
1596 title = "General principles of growing large-size single
1597 crystals of various silicon carbide polytypes",
1598 journal = "Journal of Crystal Growth",
1605 doi = "DOI: 10.1016/0022-0248(81)90184-6",
1606 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46FVMF6-2Y/2/b7c4025f0ef07ceec37fbd596819d529",
1607 author = "Yu.M. Tairov and V. F. Tsvetkov",
1611 title = "Si{C} boule growth by sublimation vapor transport",
1612 journal = "Journal of Crystal Growth",
1619 doi = "DOI: 10.1016/0022-0248(91)90152-U",
1620 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46FJ4VX-KF/2/fb802a6d67a8074a672007e972b264e1",
1621 author = "D. L. Barrett and R. G. Seidensticker and W. Gaida and
1622 R. H. Hopkins and W. J. Choyke",
1626 title = "Growth of large Si{C} single crystals",
1627 journal = "Journal of Crystal Growth",
1634 doi = "DOI: 10.1016/0022-0248(93)90348-Z",
1635 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46YKSGB-4D/2/bc26617f48735a9ffbf5c61a5e164d9c",
1636 author = "D. L. Barrett and J. P. McHugh and H. M. Hobgood and
1637 R. H. Hopkins and P. G. McMullin and R. C. Clarke and
1642 title = "Control of polytype formation by surface energy
1643 effects during the growth of Si{C} monocrystals by the
1644 sublimation method",
1645 journal = "Journal of Crystal Growth",
1652 doi = "DOI: 10.1016/0022-0248(93)90397-F",
1653 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46FX1XJ-1X/2/493b180c29103dba5dba351e0fae5b9d",
1654 author = "R. A. Stein and P. Lanig",
1655 notes = "6h and 4h, sublimation technique",
1659 author = "Shigehiro Nishino and J. Anthony Powell and Herbert A.
1662 title = "Production of large-area single-crystal wafers of
1663 cubic Si{C} for semiconductor devices",
1666 journal = "Appl. Phys. Lett.",
1670 keywords = "silicon carbides; layers; chemical vapor deposition;
1672 URL = "http://link.aip.org/link/?APL/42/460/1",
1673 doi = "10.1063/1.93970",
1674 notes = "cvd of 3c-sic on si, sic buffer layer",
1678 author = "Shigehiro Nishino and Hajime Suhara and Hideyuki Ono
1679 and Hiroyuki Matsunami",
1681 title = "Epitaxial growth and electric characteristics of cubic
1685 journal = "J. Appl. Phys.",
1688 pages = "4889--4893",
1689 URL = "http://link.aip.org/link/?JAP/61/4889/1",
1690 doi = "10.1063/1.338355",
1691 notes = "cvd of 3c-sic on si, sic buffer layer, first time
1696 author = "J. Anthony Powell and Lawrence G. Matus and Maria A.
1698 title = "Growth and Characterization of Cubic Si{C}
1699 Single-Crystal Films on Si",
1702 journal = "Journal of The Electrochemical Society",
1705 pages = "1558--1565",
1706 keywords = "semiconductor materials; silicon compounds; carbon
1707 compounds; crystal morphology; electron mobility",
1708 URL = "http://link.aip.org/link/?JES/134/1558/1",
1709 doi = "10.1149/1.2100708",
1710 notes = "blue light emitting diodes (led)",
1713 @Article{powell87_2,
1714 author = "J. A. Powell and L. G. Matus and M. A. Kuczmarski and
1715 C. M. Chorey and T. T. Cheng and P. Pirouz",
1717 title = "Improved beta-Si{C} heteroepitaxial films using
1718 off-axis Si substrates",
1721 journal = "Applied Physics Letters",
1725 keywords = "VAPOR PHASE EPITAXY; SILICON CARBIDES; VAPOR DEPOSITED
1726 COATINGS; SILICON; EPITAXIAL LAYERS; INTERFACE
1727 STRUCTURE; SURFACE STRUCTURE; FILM GROWTH; STACKING
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1731 doi = "10.1063/1.98824",
1732 notes = "improved sic on off-axis si substrates, reduced apbs",
1736 author = "Tsunenobu Kimoto and Hironori Nishino and Woo Sik Yoo
1737 and Hiroyuki Matsunami",
1738 title = "Growth mechanism of 6{H}-Si{C} in step-controlled
1742 journal = "J. Appl. Phys.",
1746 keywords = "SILICON CARBIDES; EPITAXY; GROWTH RATE; TEMPERATURE
1747 RANGE 10004000 K; TWINNING; ACTIVATION ENERGY; CHEMICAL
1749 URL = "http://link.aip.org/link/?JAP/73/726/1",
1750 doi = "10.1063/1.353329",
1751 notes = "cvd of 6h-sic on 6h-sic, twinned 3c-sic",
1755 author = "J. A. Powell and D. J. Larkin and L. G. Matus and W.
1756 J. Choyke and J. L. Bradshaw and L. Henderson and M.
1757 Yoganathan and J. Yang and P. Pirouz",
1759 title = "Growth of improved quality 3{C}-Si{C} films on
1760 6{H}-Si{C} substrates",
1763 journal = "Appl. Phys. Lett.",
1766 pages = "1353--1355",
1767 keywords = "SILICON CARBIDES; CHEMICAL VAPOR DEPOSITION; SORPTIVE
1768 PROPERTIES; PHOTOLUMINESCENCE; TRANSMISSION ELECTRON
1769 MICROSCOPY; DEFECT STRUCTURE; STACKING FAULTS; VAPOR
1771 URL = "http://link.aip.org/link/?APL/56/1353/1",
1772 doi = "10.1063/1.102512",
1773 notes = "cvd of 3c-sic on 6h-sic",
1777 author = "C. Yuan and A. J. Steckl and J. Chaudhuri and R.
1778 Thokala and M. J. Loboda",
1780 title = "Reduced temperature growth of crystalline 3{C}-Si{C}
1781 films on 6{H}-Si{C} by chemical vapor deposition from
1785 journal = "J. Appl. Phys.",
1788 pages = "1271--1273",
1789 keywords = "SILICON CARBIDES; THIN FILMS; CVD; EPITAXY; ABSORPTION
1790 EDGE; CRYSTAL STRUCTURE; STRAINS; DISLOCATIONS; XRD;
1792 URL = "http://link.aip.org/link/?JAP/78/1271/1",
1793 doi = "10.1063/1.360368",
1794 notes = "3c-sic on 6h-sic, cvd, reduced temperature",
1798 title = "Epitaxial growth of Si{C} thin films on Si-stabilized
1799 [alpha]-Si{C}(0001) at low temperatures by solid-source
1800 molecular beam epitaxy",
1801 journal = "J. Cryst. Growth",
1807 doi = "DOI: 10.1016/0022-0248(95)00170-0",
1808 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3Y5MMXM-1N/2/65549019b878bf02d5ec645b7eea9e98",
1809 author = "A. Fissel and U. Kaiser and E. Ducke and B.
1810 Schr{\"{o}}ter and W. Richter",
1811 notes = "solid source mbe of 3c-sic on si and 6h-sic",
1814 @Article{fissel95_apl,
1815 author = "A. Fissel and B. Schr{\"{o}}ter and W. Richter",
1817 title = "Low-temperature growth of Si{C} thin films on Si and
1818 6{H}--Si{C} by solid-source molecular beam epitaxy",
1821 journal = "Appl. Phys. Lett.",
1824 pages = "3182--3184",
1825 keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
1827 URL = "http://link.aip.org/link/?APL/66/3182/1",
1828 doi = "10.1063/1.113716",
1829 notes = "mbe 3c-sic on si and 6h-sic",
1833 author = "J. A. Borders and S. T. Picraux and W. Beezhold",
1835 title = "{FORMATION} {OF} Si{C} {IN} {SILICON} {BY} {ION}
1839 journal = "Appl. Phys. Lett.",
1843 URL = "http://link.aip.org/link/?APL/18/509/1",
1844 doi = "10.1063/1.1653516",
1845 notes = "first time sic by ibs, follow cites for precipitation
1850 author = "K. J. Reeson and P. L. F. Hemment and J. Stoemenos and
1851 J. Davis and G. E. Celler",
1853 title = "Formation of buried layers of beta-Si{C} using ion
1854 beam synthesis and incoherent lamp annealing",
1857 journal = "Appl. Phys. Lett.",
1860 pages = "2242--2244",
1861 keywords = "SILICON CARBIDES; FILM GROWTH; SOLIDPHASE EPITAXY; ION
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1863 URL = "http://link.aip.org/link/?APL/51/2242/1",
1864 doi = "10.1063/1.98953",
1865 notes = "nice tem images, sic by ibs",
1869 author = "R. I. Scace and G. A. Slack",
1871 title = "Solubility of Carbon in Silicon and Germanium",
1874 journal = "J. Chem. Phys.",
1877 pages = "1551--1555",
1878 URL = "http://link.aip.org/link/?JCP/30/1551/1",
1879 doi = "10.1063/1.1730236",
1880 notes = "solubility of c in c-si, si-c phase diagram",
1884 author = "N. E. B. Cowern and A. Cacciato and J. S. Custer and
1885 F. W. Saris and W. Vandervorst",
1887 title = "Role of {C} and {B} clusters in transient diffusion of
1891 journal = "Appl. Phys. Lett.",
1894 pages = "1150--1152",
1895 keywords = "ATOMIC CLUSTERS; BORON ADDITIONS; CRYSTAL DOPING;
1896 DIFFUSION; DOPED MATERIALS; IMPURITIES; INTERSTITIALS;
1898 URL = "http://link.aip.org/link/?APL/68/1150/1",
1899 doi = "10.1063/1.115706",
1900 notes = "suppression of transient enhanced diffusion (ted)",
1904 title = "Implantation and transient boron diffusion: the role
1905 of the silicon self-interstitial",
1906 journal = "Nucl. Instrum. Methods Phys. Res. B",
1911 note = "Selected Papers of the Tenth International Conference
1912 on Ion Implantation Technology (IIT '94)",
1914 doi = "DOI: 10.1016/0168-583X(94)00481-1",
1915 URL = "http://www.sciencedirect.com/science/article/B6TJN-40WKY1P-29/2/602c6e5b809221323d2d2968edd0a71c",
1916 author = "P. A. Stolk and H. -J. Gossmann and D. J. Eaglesham
1921 author = "P. A. Stolk and H.-J. Gossmann and D. J. Eaglesham and
1922 D. C. Jacobson and C. S. Rafferty and G. H. Gilmer and
1923 M. Jara\'{\i}z and J. M. Poate and H. S. Luftman and T.
1926 title = "Physical mechanisms of transient enhanced dopant
1927 diffusion in ion-implanted silicon",
1930 journal = "J. Appl. Phys.",
1933 pages = "6031--6050",
1934 URL = "http://link.aip.org/link/?JAP/81/6031/1",
1935 doi = "10.1063/1.364452",
1936 notes = "ted, transient enhanced diffusion, c silicon trap",
1940 author = "A. R. Powell and F. K. LeGoues and S. S. Iyer",
1942 title = "Formation of beta-Si{C} nanocrystals by the relaxation
1943 of Si[sub 1 - y]{C}[sub y] random alloy layers",
1946 journal = "Appl. Phys. Lett.",
1950 keywords = "SILICON CARBIDES; NANOSTRUCTURES; DISPERSIONS;
1951 EPITAXIAL LAYERS; STRESS RELAXATION; ANNEALING;
1952 TEMPERATURE EFFECTS; PRECIPITATION; DISLOCATIONS;
1954 URL = "http://link.aip.org/link/?APL/64/324/1",
1955 doi = "10.1063/1.111195",
1956 notes = "beta sic nano crystals in si, mbe, annealing",
1960 author = "Richard A. Soref",
1962 title = "Optical band gap of the ternary semiconductor Si[sub 1
1963 - x - y]Ge[sub x]{C}[sub y]",
1966 journal = "J. Appl. Phys.",
1969 pages = "2470--2472",
1970 keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; ENERGY GAP;
1971 OPTICAL PROPERTIES; DIAMONDS; SEMICONDUCTOR ALLOYS;
1973 URL = "http://link.aip.org/link/?JAP/70/2470/1",
1974 doi = "10.1063/1.349403",
1975 notes = "band gap of strained si by c",
1979 author = "E Kasper",
1980 title = "Superlattices of group {IV} elements, a new
1981 possibility to produce direct band gap material",
1982 journal = "Physica Scripta",
1985 URL = "http://stacks.iop.org/1402-4896/T35/232",
1987 notes = "superlattices, convert indirect band gap into a
1992 author = "H. J. Osten and J. Griesche and S. Scalese",
1994 title = "Substitutional carbon incorporation in epitaxial
1995 Si[sub 1 - y]{C}[sub y] alloys on Si(001) grown by
1996 molecular beam epitaxy",
1999 journal = "Appl. Phys. Lett.",
2003 keywords = "molecular beam epitaxial growth; semiconductor growth;
2004 wide band gap semiconductors; interstitials; silicon
2006 URL = "http://link.aip.org/link/?APL/74/836/1",
2007 doi = "10.1063/1.123384",
2008 notes = "substitutional c in si",
2011 @Article{hohenberg64,
2012 title = "Inhomogeneous Electron Gas",
2013 author = "P. Hohenberg and W. Kohn",
2014 journal = "Phys. Rev.",
2017 pages = "B864--B871",
2021 doi = "10.1103/PhysRev.136.B864",
2022 publisher = "American Physical Society",
2023 notes = "density functional theory, dft",
2027 title = "Self-Consistent Equations Including Exchange and
2028 Correlation Effects",
2029 author = "W. Kohn and L. J. Sham",
2030 journal = "Phys. Rev.",
2033 pages = "A1133--A1138",
2037 doi = "10.1103/PhysRev.140.A1133",
2038 publisher = "American Physical Society",
2039 notes = "dft, exchange and correlation",
2043 title = "Strain-stabilized highly concentrated pseudomorphic
2044 $Si1-x$$Cx$ layers in Si",
2045 author = "H. R{\"u}cker and M. Methfessel and E. Bugiel and H.
2047 journal = "Phys. Rev. Lett.",
2050 pages = "3578--3581",
2054 doi = "10.1103/PhysRevLett.72.3578",
2055 publisher = "American Physical Society",
2056 notes = "high c concentration in si, heterostructure, strained
2061 title = "Electron Transport Model for Strained Silicon-Carbon
2063 author = "Shu-Tong Chang and Chung-Yi Lin",
2064 journal = "Japanese J. Appl. Phys.",
2067 pages = "2257--2262",
2070 URL = "http://jjap.ipap.jp/link?JJAP/44/2257/",
2071 doi = "10.1143/JJAP.44.2257",
2072 publisher = "The Japan Society of Applied Physics",
2073 notes = "enhance of electron mobility in starined si",
2077 author = "H. J. Osten and P. Gaworzewski",
2079 title = "Charge transport in strained Si[sub 1 - y]{C}[sub y]
2080 and Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloys on
2084 journal = "J. Appl. Phys.",
2087 pages = "4977--4981",
2088 keywords = "silicon compounds; Ge-Si alloys; wide band gap
2089 semiconductors; semiconductor epitaxial layers; carrier
2090 density; Hall mobility; interstitials; defect states",
2091 URL = "http://link.aip.org/link/?JAP/82/4977/1",
2092 doi = "10.1063/1.366364",
2093 notes = "charge transport in strained si",
2097 title = "Carbon-mediated aggregation of self-interstitials in
2098 silicon: {A} large-scale molecular dynamics study",
2099 author = "Sumeet S. Kapur and Manish Prasad and Talid Sinno",
2100 journal = "Phys. Rev. B",
2107 doi = "10.1103/PhysRevB.69.155214",
2108 publisher = "American Physical Society",
2109 notes = "simulation using promising tersoff reparametrization",
2113 title = "Event-Based Relaxation of Continuous Disordered
2115 author = "G. T. Barkema and Normand Mousseau",
2116 journal = "Phys. Rev. Lett.",
2119 pages = "4358--4361",
2123 doi = "10.1103/PhysRevLett.77.4358",
2124 publisher = "American Physical Society",
2125 notes = "activation relaxation technique, art, speed up slow
2130 author = "E. Canc\`{e}s and F. Legoll and M.-C. Marinica and K.
2131 Minoukadeh and F. Willaime",
2133 title = "Some improvements of the activation-relaxation
2134 technique method for finding transition pathways on
2135 potential energy surfaces",
2138 journal = "J. Chem. Phys.",
2144 keywords = "eigenvalues and eigenfunctions; iron; potential energy
2145 surfaces; vacancies (crystal)",
2146 URL = "http://link.aip.org/link/?JCP/130/114711/1",
2147 doi = "10.1063/1.3088532",
2148 notes = "improvements to art, refs for methods to find
2149 transition pathways",
2152 @Article{parrinello81,
2153 author = "M. Parrinello and A. Rahman",
2155 title = "Polymorphic transitions in single crystals: {A} new
2156 molecular dynamics method",
2159 journal = "J. Appl. Phys.",
2162 pages = "7182--7190",
2163 keywords = "MONOCRYSTALS; PHASE TRANSFORMATIONS; STRUCTURAL
2164 MODELS; DYNAMICS; THEORETICAL DATA; STRESSES;
2165 CONFIGURATION; LAGRANGE EQUATIONS; SIZE; NICKEL;
2166 COMPRESSION; TENSILE PROPERTIES; COMPARATIVE
2167 EVALUATIONS; STRAINS; CUBIC LATTICES; HCP LATTICES;
2169 URL = "http://link.aip.org/link/?JAP/52/7182/1",
2170 doi = "10.1063/1.328693",
2173 @Article{stillinger85,
2174 title = "Computer simulation of local order in condensed phases
2176 author = "Frank H. Stillinger and Thomas A. Weber",
2177 journal = "Phys. Rev. B",
2180 pages = "5262--5271",
2184 doi = "10.1103/PhysRevB.31.5262",
2185 publisher = "American Physical Society",
2189 title = "Empirical potential for hydrocarbons for use in
2190 simulating the chemical vapor deposition of diamond
2192 author = "Donald W. Brenner",
2193 journal = "Phys. Rev. B",
2196 pages = "9458--9471",
2200 doi = "10.1103/PhysRevB.42.9458",
2201 publisher = "American Physical Society",
2202 notes = "brenner hydro carbons",
2206 title = "Modeling of Covalent Bonding in Solids by Inversion of
2207 Cohesive Energy Curves",
2208 author = "Martin Z. Bazant and Efthimios Kaxiras",
2209 journal = "Phys. Rev. Lett.",
2212 pages = "4370--4373",
2216 doi = "10.1103/PhysRevLett.77.4370",
2217 publisher = "American Physical Society",
2218 notes = "first si edip",
2222 title = "Environment-dependent interatomic potential for bulk
2224 author = "Martin Z. Bazant and Efthimios Kaxiras and J. F.
2226 journal = "Phys. Rev. B",
2229 pages = "8542--8552",
2233 doi = "10.1103/PhysRevB.56.8542",
2234 publisher = "American Physical Society",
2235 notes = "second si edip",
2239 title = "Interatomic potential for silicon defects and
2241 author = "Jo\tilde{a}o F. Justo and Martin Z. Bazant and
2242 Efthimios Kaxiras and V. V. Bulatov and Sidney Yip",
2243 journal = "Phys. Rev. B",
2246 pages = "2539--2550",
2250 doi = "10.1103/PhysRevB.58.2539",
2251 publisher = "American Physical Society",
2252 notes = "latest si edip, good dislocation explanation",
2256 title = "{PARCAS} molecular dynamics code",
2257 author = "K. Nordlund",
2262 title = "Hyperdynamics: Accelerated Molecular Dynamics of
2264 author = "Arthur F. Voter",
2265 journal = "Phys. Rev. Lett.",
2268 pages = "3908--3911",
2272 doi = "10.1103/PhysRevLett.78.3908",
2273 publisher = "American Physical Society",
2274 notes = "hyperdynamics, accelerated md",
2278 author = "Arthur F. Voter",
2280 title = "A method for accelerating the molecular dynamics
2281 simulation of infrequent events",
2284 journal = "J. Chem. Phys.",
2287 pages = "4665--4677",
2288 keywords = "COMPUTERIZED SIMULATION; NICKEL; DIFFUSION; ATOM
2289 TRANSPORT; MOLECULAR ORBITAL METHOD; POTENTIAL ENERGY;
2290 SURFACE POTENTIAL; MOLECULAR DYNAMICS METHOD; potential
2291 energy functions; surface diffusion; reaction kinetics
2292 theory; potential energy surfaces",
2293 URL = "http://link.aip.org/link/?JCP/106/4665/1",
2294 doi = "10.1063/1.473503",
2295 notes = "improved hyperdynamics md",
2298 @Article{sorensen2000,
2299 author = "Mads R. S{\o }rensen and Arthur F. Voter",
2301 title = "Temperature-accelerated dynamics for simulation of
2305 journal = "J. Chem. Phys.",
2308 pages = "9599--9606",
2309 keywords = "SOLID STATE PHYSICS; SIMULATION; DIFFUSION; SURFACES;
2310 MOLECULAR DYNAMICS METHOD; surface diffusion",
2311 URL = "http://link.aip.org/link/?JCP/112/9599/1",
2312 doi = "10.1063/1.481576",
2313 notes = "temperature accelerated dynamics, tad",
2317 title = "Parallel replica method for dynamics of infrequent
2319 author = "Arthur F. Voter",
2320 journal = "Phys. Rev. B",
2323 pages = "R13985--R13988",
2327 doi = "10.1103/PhysRevB.57.R13985",
2328 publisher = "American Physical Society",
2329 notes = "parallel replica method, accelerated md",
2333 author = "Xiongwu Wu and Shaomeng Wang",
2335 title = "Enhancing systematic motion in molecular dynamics
2339 journal = "J. Chem. Phys.",
2342 pages = "9401--9410",
2343 keywords = "molecular dynamics method; argon; Lennard-Jones
2344 potential; crystallisation; liquid theory",
2345 URL = "http://link.aip.org/link/?JCP/110/9401/1",
2346 doi = "10.1063/1.478948",
2347 notes = "self guided md, sgmd, accelerated md, enhancing
2351 @Article{choudhary05,
2352 author = "Devashish Choudhary and Paulette Clancy",
2354 title = "Application of accelerated molecular dynamics schemes
2355 to the production of amorphous silicon",
2358 journal = "J. Chem. Phys.",
2364 keywords = "molecular dynamics method; silicon; glass structure;
2365 amorphous semiconductors",
2366 URL = "http://link.aip.org/link/?JCP/122/154509/1",
2367 doi = "10.1063/1.1878733",
2368 notes = "explanation of sgmd and hyper md, applied to amorphous
2373 author = "W. J. Taylor and T. Y. Tan and U. G{\"{o}}sele",
2375 title = "Carbon precipitation in silicon: Why is it so
2379 journal = "Appl. Phys. Lett.",
2382 pages = "3336--3338",
2383 keywords = "SILICON; CARBON ADDITIONS; OXYGEN ADDITIONS; DOPED
2384 MATERIALS; PRECIPITATION; THERMODYNAMICS; SURFACE
2386 URL = "http://link.aip.org/link/?APL/62/3336/1",
2387 doi = "10.1063/1.109063",
2388 notes = "interfacial energy of cubic sic and si",
2391 @Article{chaussende08,
2392 title = "Prospects for 3{C}-Si{C} bulk crystal growth",
2393 journal = "J. Cryst. Growth",
2398 note = "Proceedings of the E-MRS Conference, Symposium G -
2399 Substrates of Wide Bandgap Materials",
2401 doi = "DOI: 10.1016/j.jcrysgro.2007.11.140",
2402 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4R7J67S-F/2/e92fc194b652409f5b119393d608b082",
2403 author = "D. Chaussende and F. Mercier and A. Boulle and F.
2404 Conchon and M. Soueidan and G. Ferro and A. Mantzari
2405 and A. Andreadou and E. K. Polychroniadis and C.
2406 Balloud and S. Juillaguet and J. Camassel and M. Pons",
2407 notes = "3c-sic crystal growth, sic fabrication + links,
2411 @Article{chaussende07,
2412 author = "D. Chaussende and P. J. Wellmann and M. Pons",
2413 title = "Status of Si{C} bulk growth processes",
2414 journal = "Journal of Physics D: Applied Physics",
2418 URL = "http://stacks.iop.org/0022-3727/40/i=20/a=S02",
2420 notes = "review of sic single crystal growth methods, process
2425 title = "Forces in Molecules",
2426 author = "R. P. Feynman",
2427 journal = "Phys. Rev.",
2434 doi = "10.1103/PhysRev.56.340",
2435 publisher = "American Physical Society",
2436 notes = "hellmann feynman forces",
2440 title = "Bonding Arrangements at the $Si-Si{O}_{2}$ and
2441 $Si{C}-Si{O}_{2}$ Interfaces and a Possible Origin of
2442 their Contrasting Properties",
2443 author = "Ryszard Buczko and Stephen J. Pennycook and Sokrates
2445 journal = "Phys. Rev. Lett.",
2452 doi = "10.1103/PhysRevLett.84.943",
2453 publisher = "American Physical Society",
2454 notes = "si sio2 and sic sio2 interface",
2457 @Article{djurabekova08,
2458 title = "Atomistic simulation of the interface structure of Si
2459 nanocrystals embedded in amorphous silica",
2460 author = "Flyura Djurabekova and Kai Nordlund",
2461 journal = "Phys. Rev. B",
2468 doi = "10.1103/PhysRevB.77.115325",
2469 publisher = "American Physical Society",
2470 notes = "nc-si in sio2, interface energy, nc construction,
2471 angular distribution, coordination",
2475 author = "C. Wen and Y. M. Wang and W. Wan and F. H. Li and J.
2476 W. Liang and J. Zou",
2478 title = "Nature of interfacial defects and their roles in
2479 strain relaxation at highly lattice mismatched
2480 3{C}-Si{C}/Si (001) interface",
2483 journal = "J. Appl. Phys.",
2489 keywords = "anelastic relaxation; crystal structure; dislocations;
2490 elemental semiconductors; semiconductor growth;
2491 semiconductor thin films; silicon; silicon compounds;
2492 stacking faults; wide band gap semiconductors",
2493 URL = "http://link.aip.org/link/?JAP/106/073522/1",
2494 doi = "10.1063/1.3234380",
2495 notes = "sic/si interface, follow refs, tem image
2496 deconvolution, dislocation defects",
2499 @Article{kitabatake93,
2500 author = "Makoto Kitabatake and Masahiro Deguchi and Takashi
2503 title = "Simulations and experiments of Si{C} heteroepitaxial
2504 growth on Si(001) surface",
2507 journal = "J. Appl. Phys.",
2510 pages = "4438--4445",
2511 keywords = "SILICON CARBIDES; FILM GROWTH; SIMULATION; MOLECULAR
2512 BEAM EPITAXY; MOLECULAR DYNAMICS CALCULATIONS; SILICON;
2513 MICROSTRUCTURE; ULTRAVIOLET RADIATION; IRRADIATION",
2514 URL = "http://link.aip.org/link/?JAP/74/4438/1",
2515 doi = "10.1063/1.354385",
2516 notes = "mbe and md of sic growth on si, 4 to 5 shrinkage
2520 @Article{kitabatake97,
2521 author = "Makoto Kitabatake",
2522 title = "Simulations and Experiments of 3{C}-Si{C}/Si
2523 Heteroepitaxial Growth",
2524 publisher = "WILEY-VCH Verlag",
2526 journal = "physica status solidi (b)",
2529 URL = "http://dx.doi.org/10.1002/1521-3951(199707)202:1<405::AID-PSSB405>3.0.CO;2-5",
2530 doi = "10.1002/1521-3951(199707)202:1<405::AID-PSSB405>3.0.CO;2-5",
2531 notes = "3c-sic heteroepitaxial growth on si off-axis model",
2535 title = "Strain relaxation and thermal stability of the
2536 3{C}-Si{C}(001)/Si(001) interface: {A} molecular
2538 journal = "Thin Solid Films",
2545 doi = "DOI: 10.1016/S0040-6090(96)09257-7",
2546 URL = "http://www.sciencedirect.com/science/article/B6TW0-41WBB52-C/2/6ef684a04d02dd3b108f972377cde8f4",
2547 author = "V. Chirita and L. Hultman and L. R. Wallenberg",
2548 keywords = "Strain relaxation",
2549 keywords = "Interfaces",
2550 keywords = "Thermal stability",
2551 keywords = "Molecular dynamics",
2552 notes = "tersoff sic/si interface study",
2556 title = "Ab initio Study of Misfit Dislocations at the
2557 $Si{C}/Si(001)$ Interface",
2558 author = "Giancarlo Cicero and Laurent Pizzagalli and Alessandra
2560 journal = "Phys. Rev. Lett.",
2567 doi = "10.1103/PhysRevLett.89.156101",
2568 publisher = "American Physical Society",
2569 notes = "sic/si interface study",
2572 @Article{pizzagalli03,
2573 title = "Theoretical investigations of a highly mismatched
2574 interface: Si{C}/Si(001)",
2575 author = "Laurent Pizzagalli and Giancarlo Cicero and Alessandra
2577 journal = "Phys. Rev. B",
2584 doi = "10.1103/PhysRevB.68.195302",
2585 publisher = "American Physical Society",
2586 notes = "tersoff md and ab initio sic/si interface study",
2590 title = "Atomic configurations of dislocation core and twin
2591 boundaries in $ 3{C}-Si{C} $ studied by high-resolution
2592 electron microscopy",
2593 author = "C. Y. Tang and F. H. Li and R. Wang and J. Zou and X.
2594 H. Zheng and J. W. Liang",
2595 journal = "Phys. Rev. B",
2602 doi = "10.1103/PhysRevB.75.184103",
2603 publisher = "American Physical Society",
2604 notes = "hrem image deconvolution on 3c-sic on si, distinguish
2608 @Article{hornstra58,
2609 title = "Dislocations in the diamond lattice",
2610 journal = "Journal of Physics and Chemistry of Solids",
2617 doi = "DOI: 10.1016/0022-3697(58)90138-0",
2618 URL = "http://www.sciencedirect.com/science/article/B6TXR-46MMPHJ-10D/2/7176c01c29cd4e73faa26ab2aacdcea5",
2619 author = "J. Hornstra",
2620 notes = "dislocations in diamond lattice",
2624 title = "Synthesis of $\beta$-Si{C} Layer in Silicon by Carbon
2625 Ion `Hot' Implantation",
2626 author = "Masahiro Deguchi and Makoto Kitabatake and Takashi
2627 Hirao and Naoki Arai and Tomio Izumi",
2628 journal = "Japanese Journal of Applied Physics",
2630 number = "Part 1, No. 2A",
2634 URL = "http://jjap.ipap.jp/link?JJAP/31/343/",
2635 doi = "10.1143/JJAP.31.343",
2636 publisher = "The Japan Society of Applied Physics",
2637 notes = "c-c bonds in c implanted si, hot implantation
2638 efficiency, c-c hard to break by thermal annealing",
2641 @Article{eichhorn99,
2642 author = "F. Eichhorn and N. Schell and W. Matz and R.
2645 title = "Strain and Si{C} particle formation in silicon
2646 implanted with carbon ions of medium fluence studied by
2647 synchrotron x-ray diffraction",
2650 journal = "J. Appl. Phys.",
2653 pages = "4184--4187",
2654 keywords = "silicon; carbon; elemental semiconductors; chemical
2655 interdiffusion; ion implantation; X-ray diffraction;
2656 precipitation; semiconductor doping",
2657 URL = "http://link.aip.org/link/?JAP/86/4184/1",
2658 doi = "10.1063/1.371344",
2659 notes = "sic conversion by ibs, detected substitutional carbon,
2660 expansion of si lattice",
2663 @Article{eichhorn02,
2664 author = "F. Eichhorn and N. Schell and A. M{\"{u}}cklich and H.
2665 Metzger and W. Matz and R. K{\"{o}}gler",
2667 title = "Structural relation between Si and Si{C} formed by
2668 carbon ion implantation",
2671 journal = "J. Appl. Phys.",
2674 pages = "1287--1292",
2675 keywords = "silicon compounds; wide band gap semiconductors; ion
2676 implantation; annealing; X-ray scattering; transmission
2677 electron microscopy",
2678 URL = "http://link.aip.org/link/?JAP/91/1287/1",
2679 doi = "10.1063/1.1428105",
2680 notes = "3c-sic alignement to si host in ibs depending on
2681 temperature, might explain c into c sub trafo",
2685 author = "G Lucas and M Bertolus and L Pizzagalli",
2686 title = "An environment-dependent interatomic potential for
2687 silicon carbide: calculation of bulk properties,
2688 high-pressure phases, point and extended defects, and
2689 amorphous structures",
2690 journal = "J. Phys.: Condens. Matter",
2694 URL = "http://stacks.iop.org/0953-8984/22/i=3/a=035802",
2700 author = "J Godet and L Pizzagalli and S Brochard and P
2702 title = "Comparison between classical potentials and ab initio
2703 methods for silicon under large shear",
2704 journal = "J. Phys.: Condens. Matter",
2708 URL = "http://stacks.iop.org/0953-8984/15/i=41/a=004",
2710 notes = "comparison of empirical potentials, stillinger weber,
2711 edip, tersoff, ab initio",
2714 @Article{moriguchi98,
2715 title = "Verification of Tersoff's Potential for Static
2716 Structural Analysis of Solids of Group-{IV} Elements",
2717 author = "Koji Moriguchi and Akira Shintani",
2718 journal = "Japanese J. Appl. Phys.",
2720 number = "Part 1, No. 2",
2724 URL = "http://jjap.ipap.jp/link?JJAP/37/414/",
2725 doi = "10.1143/JJAP.37.414",
2726 publisher = "The Japan Society of Applied Physics",
2727 notes = "tersoff stringent test",
2730 @Article{mazzarolo01,
2731 title = "Low-energy recoils in crystalline silicon: Quantum
2733 author = "Massimiliano Mazzarolo and Luciano Colombo and Giorgio
2734 Lulli and Eros Albertazzi",
2735 journal = "Phys. Rev. B",
2742 doi = "10.1103/PhysRevB.63.195207",
2743 publisher = "American Physical Society",
2746 @Article{holmstroem08,
2747 title = "Threshold defect production in silicon determined by
2748 density functional theory molecular dynamics
2750 author = "E. Holmstr{\"o}m and A. Kuronen and K. Nordlund",
2751 journal = "Phys. Rev. B",
2758 doi = "10.1103/PhysRevB.78.045202",
2759 publisher = "American Physical Society",
2760 notes = "threshold displacement comparison empirical and ab
2764 @Article{nordlund97,
2765 title = "Repulsive interatomic potentials calculated using
2766 Hartree-Fock and density-functional theory methods",
2767 journal = "Nucl. Instrum. Methods Phys. Res. B",
2774 doi = "DOI: 10.1016/S0168-583X(97)00447-3",
2775 URL = "http://www.sciencedirect.com/science/article/B6TJN-4CP0TGF-91/2/1a9100c0aae82d2d258fc83dfdba23c1",
2776 author = "K. Nordlund and N. Runeberg and D. Sundholm",
2777 notes = "repulsive ab initio potential",
2781 title = "Efficiency of ab-initio total energy calculations for
2782 metals and semiconductors using a plane-wave basis
2784 journal = "Comput. Mater. Sci.",
2791 doi = "DOI: 10.1016/0927-0256(96)00008-0",
2792 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74",
2793 author = "G. Kresse and J. Furthm{\"{u}}ller",
2798 title = "Projector augmented-wave method",
2799 author = "P. E. Bl{\"o}chl",
2800 journal = "Phys. Rev. B",
2803 pages = "17953--17979",
2807 doi = "10.1103/PhysRevB.50.17953",
2808 publisher = "American Physical Society",
2809 notes = "paw method",
2813 title = "Norm-Conserving Pseudopotentials",
2814 author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
2815 journal = "Phys. Rev. Lett.",
2818 pages = "1494--1497",
2822 doi = "10.1103/PhysRevLett.43.1494",
2823 publisher = "American Physical Society",
2824 notes = "norm-conserving pseudopotentials",
2827 @Article{vanderbilt90,
2828 title = "Soft self-consistent pseudopotentials in a generalized
2829 eigenvalue formalism",
2830 author = "David Vanderbilt",
2831 journal = "Phys. Rev. B",
2834 pages = "7892--7895",
2838 doi = "10.1103/PhysRevB.41.7892",
2839 publisher = "American Physical Society",
2840 notes = "vasp pseudopotentials",
2844 title = "Accurate and simple density functional for the
2845 electronic exchange energy: Generalized gradient
2847 author = "John P. Perdew and Yue Wang",
2848 journal = "Phys. Rev. B",
2851 pages = "8800--8802",
2855 doi = "10.1103/PhysRevB.33.8800",
2856 publisher = "American Physical Society",
2857 notes = "rapid communication gga",
2861 title = "Generalized gradient approximations for exchange and
2862 correlation: {A} look backward and forward",
2863 journal = "Physica B: Condensed Matter",
2870 doi = "DOI: 10.1016/0921-4526(91)90409-8",
2871 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8GR9-3D/2/18e610a616e4d80b934079c89063ece7",
2872 author = "John P. Perdew",
2873 notes = "gga overview",
2877 title = "Atoms, molecules, solids, and surfaces: Applications
2878 of the generalized gradient approximation for exchange
2880 author = "John P. Perdew and J. A. Chevary and S. H. Vosko and
2881 Koblar A. Jackson and Mark R. Pederson and D. J. Singh
2882 and Carlos Fiolhais",
2883 journal = "Phys. Rev. B",
2886 pages = "6671--6687",
2890 doi = "10.1103/PhysRevB.46.6671",
2891 publisher = "American Physical Society",
2892 notes = "gga pw91 (as in vasp)",
2895 @Article{baldereschi73,
2896 title = "Mean-Value Point in the Brillouin Zone",
2897 author = "A. Baldereschi",
2898 journal = "Phys. Rev. B",
2901 pages = "5212--5215",
2905 doi = "10.1103/PhysRevB.7.5212",
2906 publisher = "American Physical Society",
2907 notes = "mean value k point",
2911 title = "Ab initio pseudopotential calculations of dopant
2913 journal = "Comput. Mater. Sci.",
2920 doi = "DOI: 10.1016/S0927-0256(98)00023-8",
2921 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VB7F2K-7/2/aa864582273be8e054300efb7bd16a1b",
2922 author = "Jing Zhu",
2923 keywords = "TED (transient enhanced diffusion)",
2924 keywords = "Boron dopant",
2925 keywords = "Carbon dopant",
2926 keywords = "Defect",
2927 keywords = "ab initio pseudopotential method",
2928 keywords = "Impurity cluster",
2929 notes = "binding of c to si interstitial, c in si defects",
2933 author = "A. Nejim and P. L. F. Hemment and J. Stoemenos",
2935 title = "Si{C} buried layer formation by ion beam synthesis at
2939 journal = "Appl. Phys. Lett.",
2942 pages = "2646--2648",
2943 keywords = "SILICON; ION IMPLANTATION; CARBON IONS; SILICON
2944 CARBIDES; BURIED LAYERS; SYNTHESIS; KEV RANGE 100 --
2945 1000; CRYSTAL DEFECTS; MORPHOLOGY; RBS; TRANSMISSION
2946 ELECTRON MICROSCOPY",
2947 URL = "http://link.aip.org/link/?APL/66/2646/1",
2948 doi = "10.1063/1.113112",
2949 notes = "precipitation mechanism by substitutional carbon, si
2950 self interstitials react with further implanted c",
2954 author = "C. Guedj and M. W. Dashiell and L. Kulik and J.
2955 Kolodzey and A. Hairie",
2957 title = "Precipitation of beta-Si{C} in Si[sub 1 - y]{C}[sub y]
2961 journal = "J. Appl. Phys.",
2964 pages = "4631--4633",
2965 keywords = "silicon compounds; precipitation; localised modes;
2966 semiconductor epitaxial layers; infrared spectra;
2967 Fourier transform spectra; thermal stability;
2969 URL = "http://link.aip.org/link/?JAP/84/4631/1",
2970 doi = "10.1063/1.368703",
2971 notes = "coherent 3C-SiC, topotactic, critical coherence size",
2975 author = "R Jones and B J Coomer and P R Briddon",
2976 title = "Quantum mechanical modelling of defects in
2978 journal = "J. Phys.: Condens. Matter",
2982 URL = "http://stacks.iop.org/0953-8984/16/i=27/a=004",
2984 notes = "ab inito init, vibrational modes, c defect in si",
2988 author = "S. Y. Park and J. D'Arcy-Gall and D. Gall and J. A. N.
2989 T Soares and Y.-W. Kim and H. Kim and P. Desjardins and
2990 J. E. Greene and S. G. Bishop",
2992 title = "Carbon incorporation pathways and lattice sites in
2993 Si[sub 1 - y]{C}[sub y] alloys grown on Si(001) by
2994 molecular-beam epitaxy",
2997 journal = "J. Appl. Phys.",
3000 pages = "5716--5727",
3001 URL = "http://link.aip.org/link/?JAP/91/5716/1",
3002 doi = "10.1063/1.1465122",
3003 notes = "c substitutional incorporation pathway, dft and expt",
3007 title = "Dynamic properties of interstitial carbon and
3008 carbon-carbon pair defects in silicon",
3009 author = "P. Leary and R. Jones and S. {\"O}berg and V. J. B.
3011 journal = "Phys. Rev. B",
3014 pages = "2188--2194",
3018 doi = "10.1103/PhysRevB.55.2188",
3019 publisher = "American Physical Society",
3020 notes = "ab initio c in si and di-carbon defect, no formation
3021 energies, different migration barriers and paths",
3025 title = "Interstitial carbon and the carbon-carbon pair in
3026 silicon: Semiempirical electronic-structure
3028 author = "Matthew J. Burnard and Gary G. DeLeo",
3029 journal = "Phys. Rev. B",
3032 pages = "10217--10225",
3036 doi = "10.1103/PhysRevB.47.10217",
3037 publisher = "American Physical Society",
3038 notes = "semi empirical mndo, pm3 and mindo3 c in si and di
3039 carbon defect, formation energies",
3043 title = "Electronic structure of interstitial carbon in
3045 author = "Morgan Besson and Gary G. DeLeo",
3046 journal = "Phys. Rev. B",
3049 pages = "4028--4033",
3053 doi = "10.1103/PhysRevB.43.4028",
3054 publisher = "American Physical Society",
3058 title = "Review of atomistic simulations of surface diffusion
3059 and growth on semiconductors",
3060 journal = "Comput. Mater. Sci.",
3065 note = "Proceedings of the Workshop on Virtual Molecular Beam
3068 doi = "DOI: 10.1016/0927-0256(96)00030-4",
3069 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VSFF1G-7/2/afc8408b00ded1ca2dc3ad1686c2dae6",
3070 author = "Efthimios Kaxiras",
3071 notes = "might contain c 100 db formation energy, overview md,
3072 tight binding, first principles",
3075 @Article{kaukonen98,
3076 title = "Effect of {N} and {B} doping on the growth of {CVD}
3078 $(100):{H}(2\ifmmode\times\else\texttimes\fi{}1)$
3080 author = "M. Kaukonen and P. K. Sitch and G. Jungnickel and R.
3081 M. Nieminen and Sami P{\"o}ykk{\"o} and D. Porezag and
3083 journal = "Phys. Rev. B",
3086 pages = "9965--9970",
3090 doi = "10.1103/PhysRevB.57.9965",
3091 publisher = "American Physical Society",
3092 notes = "constrained conjugate gradient relaxation technique
3097 title = "Correlation between the antisite pair and the ${DI}$
3099 author = "A. Gali and P. De\'ak and E. Rauls and N. T. Son and
3100 I. G. Ivanov and F. H. C. Carlsson and E. Janz\'en and
3102 journal = "Phys. Rev. B",
3109 doi = "10.1103/PhysRevB.67.155203",
3110 publisher = "American Physical Society",
3114 title = "Production and recovery of defects in Si{C} after
3115 irradiation and deformation",
3116 journal = "J. Nucl. Mater.",
3119 pages = "1803--1808",
3123 doi = "DOI: 10.1016/S0022-3115(98)00139-1",
3124 URL = "http://www.sciencedirect.com/science/article/B6TXN-43G486N-47/2/56905f48f025ab98e5de4d6cde09c62b",
3125 author = "J. Chen and P. Jung and H. Klein",
3129 title = "Accumulation, dynamic annealing and thermal recovery
3130 of ion-beam-induced disorder in silicon carbide",
3131 journal = "Nucl. Instrum. Methods Phys. Res. B",
3138 doi = "DOI: 10.1016/S0168-583X(00)00542-5",
3139 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KH7Y-2R/2/8acc176700c95bb8614d96c40cfc5577",
3140 author = "W. J. Weber and W. Jiang and S. Thevuthasan",
3143 @Article{bockstedte03,
3144 title = "Ab initio study of the migration of intrinsic defects
3146 author = "Michel Bockstedte and Alexander Mattausch and Oleg
3148 journal = "Phys. Rev. B",
3155 doi = "10.1103/PhysRevB.68.205201",
3156 publisher = "American Physical Society",
3157 notes = "defect migration in sic",
3161 title = "Theoretical study of vacancy diffusion and
3162 vacancy-assisted clustering of antisites in Si{C}",
3163 author = "E. Rauls and Th. Frauenheim and A. Gali and P.
3165 journal = "Phys. Rev. B",
3172 doi = "10.1103/PhysRevB.68.155208",
3173 publisher = "American Physical Society",
3177 journal = "Telegrafiya i Telefoniya bez Provodov",
3181 author = "O. V. Lossev",
3185 title = "Luminous carborundum detector and detection effect and
3186 oscillations with crystals",
3187 journal = "Philosophical Magazine Series 7",
3190 pages = "1024--1044",
3192 URL = "http://www.informaworld.com/10.1080/14786441108564683",
3193 author = "O. V. Lossev",
3197 journal = "Physik. Zeitschr.",
3201 author = "O. V. Lossev",
3205 journal = "Physik. Zeitschr.",
3209 author = "O. V. Lossev",
3213 journal = "Physik. Zeitschr.",
3217 author = "O. V. Lossev",
3221 title = "A note on carborundum",
3222 journal = "Electrical World",
3226 author = "H. J. Round",
3229 @Article{vashishath08,
3230 title = "Recent trends in silicon carbide device research",
3231 journal = "Mj. Int. J. Sci. Tech.",
3236 author = "Munish Vashishath and Ashoke K. Chatterjee",
3237 URL = "http://www.doaj.org/doaj?func=abstract&id=286746",
3238 notes = "sic polytype electronic properties",
3242 author = "W. E. Nelson and F. A. Halden and A. Rosengreen",
3244 title = "Growth and Properties of beta-Si{C} Single Crystals",
3247 journal = "Journal of Applied Physics",
3251 URL = "http://link.aip.org/link/?JAP/37/333/1",
3252 doi = "10.1063/1.1707837",
3253 notes = "sic melt growth",
3257 author = "A. E. van Arkel and J. H. de Boer",
3258 title = "Darstellung von reinem Titanium-, Zirkonium-, Hafnium-
3260 publisher = "WILEY-VCH Verlag GmbH",
3262 journal = "Z. Anorg. Chem.",
3265 URL = "http://dx.doi.org/10.1002/zaac.19251480133",
3266 doi = "10.1002/zaac.19251480133",
3267 notes = "van arkel apparatus",
3271 author = "K. Moers",
3273 journal = "Z. Anorg. Chem.",
3276 notes = "sic by van arkel apparatus, pyrolitical vapor growth
3281 author = "J. T. Kendall",
3282 title = "Electronic Conduction in Silicon Carbide",
3285 journal = "The Journal of Chemical Physics",
3289 URL = "http://link.aip.org/link/?JCP/21/821/1",
3290 notes = "sic by van arkel apparatus, pyrolitical vapor growth
3295 author = "J. A. Lely",
3297 journal = "Ber. Deut. Keram. Ges.",
3300 notes = "lely sublimation growth process",
3303 @Article{knippenberg63,
3304 author = "W. F. Knippenberg",
3306 journal = "Philips Res. Repts.",
3309 notes = "acheson process",
3312 @Article{hoffmann82,
3313 author = "L. Hoffmann and G. Ziegler and D. Theis and C.
3316 title = "Silicon carbide blue light emitting diodes with
3317 improved external quantum efficiency",
3320 journal = "Journal of Applied Physics",
3323 pages = "6962--6967",
3324 keywords = "light emitting diodes; silicon carbides; quantum
3325 efficiency; visible radiation; experimental data;
3326 epitaxy; fabrication; medium temperature; layers;
3327 aluminium; nitrogen; substrates; pn junctions;
3328 electroluminescence; spectra; current density;
3330 URL = "http://link.aip.org/link/?JAP/53/6962/1",
3331 doi = "10.1063/1.330041",
3332 notes = "blue led, sublimation process",
3336 author = "Philip Neudeck",
3337 affiliation = "NASA Lewis Research Center M.S. 77-1, 21000 Brookpark
3338 Road 44135 Cleveland OH",
3339 title = "Progress in silicon carbide semiconductor electronics
3341 journal = "Journal of Electronic Materials",
3342 publisher = "Springer Boston",
3344 keyword = "Chemistry and Materials Science",
3348 URL = "http://dx.doi.org/10.1007/BF02659688",
3349 note = "10.1007/BF02659688",
3351 notes = "sic data, advantages of 3c sic",
3354 @Article{bhatnagar93,
3355 author = "M. Bhatnagar and B. J. Baliga",
3356 journal = "Electron Devices, IEEE Transactions on",
3357 title = "Comparison of 6{H}-Si{C}, 3{C}-Si{C}, and Si for power
3364 keywords = "3C-SiC;50 to 5000 V;6H-SiC;Schottky
3365 rectifiers;Si;SiC;breakdown voltages;drift region
3366 properties;output characteristics;power MOSFETs;power
3367 semiconductor devices;switching characteristics;thermal
3368 analysis;Schottky-barrier diodes;electric breakdown of
3369 solids;insulated gate field effect transistors;power
3370 transistors;semiconductor materials;silicon;silicon
3371 compounds;solid-state rectifiers;thermal analysis;",
3372 doi = "10.1109/16.199372",
3374 notes = "comparison 3c 6h sic and si devices",
3378 author = "P. G. Neudeck and D. J. Larkin and J. E. Starr and J.
3379 A. Powell and C. S. Salupo and L. G. Matus",
3380 journal = "Electron Devices, IEEE Transactions on",
3381 title = "Electrical properties of epitaxial 3{C}- and
3382 6{H}-Si{C} p-n junction diodes produced side-by-side on
3383 6{H}-Si{C} substrates",
3389 keywords = "20 nA;200 micron;300 to 1100 V;3C-SiC layers;400
3390 C;6H-SiC layers;6H-SiC substrates;CVD
3391 process;SiC;chemical vapor deposition;doping;electrical
3392 properties;epitaxial layers;light
3393 emission;low-tilt-angle 6H-SiC substrates;p-n junction
3394 diodes;polytype;rectification characteristics;reverse
3395 leakage current;reverse voltages;temperature;leakage
3396 currents;power electronics;semiconductor
3397 diodes;semiconductor epitaxial layers;semiconductor
3398 growth;semiconductor materials;silicon
3399 compounds;solid-state rectifiers;substrates;vapour
3400 phase epitaxial growth;",
3401 doi = "10.1109/16.285038",
3403 notes = "comparison 6h 3c sic, cvd of 3c and 6h on single 6h
3408 author = "N. Schulze and D. L. Barrett and G. Pensl",
3410 title = "Near-equilibrium growth of micropipe-free 6{H}-Si{C}
3411 single crystals by physical vapor transport",
3414 journal = "Applied Physics Letters",
3417 pages = "1632--1634",
3418 keywords = "silicon compounds; semiconductor materials;
3419 semiconductor growth; crystal growth from vapour;
3420 photoluminescence; Hall mobility",
3421 URL = "http://link.aip.org/link/?APL/72/1632/1",
3422 doi = "10.1063/1.121136",
3423 notes = "micropipe free 6h-sic pvt growth",
3427 author = "P. Pirouz and C. M. Chorey and J. A. Powell",
3429 title = "Antiphase boundaries in epitaxially grown beta-Si{C}",
3432 journal = "Applied Physics Letters",
3436 keywords = "SILICON CARBIDES; DOMAIN STRUCTURE; SCANNING ELECTRON
3437 MICROSCOPY; NUCLEATION; EPITAXIAL LAYERS; CHEMICAL
3438 VAPOR DEPOSITION; ETCHING; ETCH PITS; TRANSMISSION
3439 ELECTRON MICROSCOPY; ELECTRON MICROSCOPY; ANTIPHASE
3441 URL = "http://link.aip.org/link/?APL/50/221/1",
3442 doi = "10.1063/1.97667",
3443 notes = "apb 3c-sic heteroepitaxy on si",
3446 @Article{shibahara86,
3447 title = "Surface morphology of cubic Si{C}(100) grown on
3448 Si(100) by chemical vapor deposition",
3449 journal = "Journal of Crystal Growth",
3456 doi = "DOI: 10.1016/0022-0248(86)90158-2",
3457 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46D26F7-1R/2/cfdbc7607352f3bc99d321303e3934e9",
3458 author = "Kentaro Shibahara and Shigehiro Nishino and Hiroyuki
3460 notes = "defects in 3c-sis cvd on si, anti phase boundaries",