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 author = "P. S. de Laplace",
97 title = "Th\'eorie analytique des probabilit\'es",
98 series = "Oeuvres Compl\`etes de Laplace",
100 publisher = "Gauthier-Villars",
104 @Article{mattoni2007,
105 author = "A. {Mattoni} and M. {Ippolito} and L. {Colombo}",
106 title = "{Atomistic modeling of brittleness in covalent
108 journal = "Phys. Rev. B",
114 doi = "10.1103/PhysRevB.76.224103",
115 notes = "adopted tersoff potential for Si, C, Ge ad SiC;
116 longe(r)-range-interactions, brittle propagation of
117 fracture, more available potentials, universal energy
118 relation (uer), minimum range model (mrm)",
122 title = "Comparative study of silicon empirical interatomic
124 author = "H. Balamane and T. Halicioglu and W. A. Tiller",
125 journal = "Phys. Rev. B",
128 pages = "2250--2279",
132 doi = "10.1103/PhysRevB.46.2250",
133 publisher = "American Physical Society",
134 notes = "comparison of classical potentials for si",
138 title = "Stress relaxation in $a-Si$ induced by ion
140 author = "H. M. Urbassek M. Koster",
141 journal = "Phys. Rev. B",
144 pages = "11219--11224",
148 doi = "10.1103/PhysRevB.62.11219",
149 publisher = "American Physical Society",
150 notes = "virial derivation for 3-body tersoff potential",
153 @Article{breadmore99,
154 title = "Direct simulation of ion-beam-induced stressing and
155 amorphization of silicon",
156 author = "N. Gr\o{}nbech-Jensen K. M. Beardmore",
157 journal = "Phys. Rev. B",
160 pages = "12610--12616",
164 doi = "10.1103/PhysRevB.60.12610",
165 publisher = "American Physical Society",
166 notes = "virial derivation for 3-body tersoff potential",
170 author = "Henri Moissan",
171 title = "Nouvelles recherches sur la météorité de Cañon
173 journal = "Comptes rendus de l'Académie des Sciences",
180 author = "Y. S. Park",
181 title = "Si{C} Materials and Devices",
182 publisher = "Academic Press",
183 address = "San Diego",
188 author = "Valeri F. Tsvetkov and R. C. Glass and D. Henshall and
189 Calvin H. Carter Jr. and D. Asbury",
190 title = "Si{C} Seeded Boule Growth",
191 journal = "Materials Science Forum",
195 notes = "modified lely process, micropipes",
199 title = "Computer {"}Experiments{"} on Classical Fluids. {I}.
200 Thermodynamical Properties of Lennard-Jones Molecules",
201 author = "Loup Verlet",
202 journal = "Phys. Rev.",
208 doi = "10.1103/PhysRev.159.98",
209 publisher = "American Physical Society",
210 notes = "velocity verlet integration algorithm equation of
214 @Article{berendsen84,
215 author = "H. J. C. Berendsen and J. P. M. Postma and W. F. van
216 Gunsteren and A. DiNola and J. R. Haak",
218 title = "Molecular dynamics with coupling to an external bath",
221 journal = "J. Chem. Phys.",
224 pages = "3684--3690",
225 keywords = "MOLECULAR DYNAMICS CALCULATION; TRANSPORT THEORY;
226 COMPUTERIZED SIMULATION; LIQUIDS; STRUCTURE FACTORS",
227 URL = "http://link.aip.org/link/?JCP/81/3684/1",
228 doi = "10.1063/1.448118",
229 notes = "berendsen thermostat barostat",
233 author = "Hanchen Huang and N M Ghoniem and J K Wong and M
235 title = "Molecular dynamics determination of defect energetics
236 in beta -Si{C} using three representative empirical
238 journal = "Modell. Simul. Mater. Sci. Eng.",
242 URL = "http://stacks.iop.org/0965-0393/3/615",
243 notes = "comparison of tersoff, pearson and eam for defect
244 energetics in sic; (m)eam parameters for sic",
249 title = "Relationship between the embedded-atom method and
251 author = "Donald W. Brenner",
252 journal = "Phys. Rev. Lett.",
259 doi = "10.1103/PhysRevLett.63.1022",
260 publisher = "American Physical Society",
261 notes = "relation of tersoff and eam potential",
265 title = "Molecular-dynamics study of self-interstitials in
267 author = "Inder P. Batra and Farid F. Abraham and S. Ciraci",
268 journal = "Phys. Rev. B",
271 pages = "9552--9558",
275 doi = "10.1103/PhysRevB.35.9552",
276 publisher = "American Physical Society",
277 notes = "selft-interstitials in silicon, stillinger-weber,
278 calculation of defect formation energy, defect
283 title = "Extended interstitials in silicon and germanium",
284 author = "H. R. Schober",
285 journal = "Phys. Rev. B",
288 pages = "13013--13015",
292 doi = "10.1103/PhysRevB.39.13013",
293 publisher = "American Physical Society",
294 notes = "stillinger-weber silicon 110 stable and metastable
295 dumbbell configuration",
299 title = "Cascade overlap and amorphization in $3{C}-Si{C}:$
300 Defect accumulation, topological features, and
302 author = "F. Gao and W. J. Weber",
303 journal = "Phys. Rev. B",
310 doi = "10.1103/PhysRevB.66.024106",
311 publisher = "American Physical Society",
312 notes = "sic intro, si cascade in 3c-sic, amorphization,
313 tersoff modified, pair correlation of amorphous sic, md
317 @Article{devanathan98,
318 title = "Computer simulation of a 10 ke{V} Si displacement
320 journal = "Nucl. Instrum. Methods Phys. Res. B",
326 doi = "DOI: 10.1016/S0168-583X(98)00084-6",
327 author = "R. Devanathan and W. J. Weber and T. Diaz de la
329 notes = "modified tersoff short range potential, ab initio
333 @Article{devanathan98_2,
334 title = "Displacement threshold energies in [beta]-Si{C}",
335 journal = "J. Nucl. Mater.",
341 doi = "DOI: 10.1016/S0022-3115(97)00304-8",
342 author = "R. Devanathan and T. Diaz de la Rubia and W. J.
344 notes = "modified tersoff, ab initio, combined ab initio
348 @Article{kitabatake00,
349 title = "Si{C}/Si heteroepitaxial growth",
350 author = "M. Kitabatake",
351 journal = "Thin Solid Films",
356 notes = "md simulation, sic si heteroepitaxy, mbe",
360 title = "Intrinsic point defects in crystalline silicon:
361 Tight-binding molecular dynamics studies of
362 self-diffusion, interstitial-vacancy recombination, and
364 author = "M. Tang and L. Colombo and J. Zhu and T. Diaz de la
366 journal = "Phys. Rev. B",
369 pages = "14279--14289",
373 doi = "10.1103/PhysRevB.55.14279",
374 publisher = "American Physical Society",
375 notes = "si self interstitial, diffusion, tbmd",
379 author = "M. D. Johnson and M.-J. Caturla and T. D\'{\i}az de la
382 title = "A kinetic Monte--Carlo study of the effective
383 diffusivity of the silicon self-interstitial in the
384 presence of carbon and boron",
387 journal = "J. Appl. Phys.",
390 pages = "1963--1967",
391 keywords = "MONTE CARLO METHOD; DIFFUSION; SILICON; INTERSTITIALS;
392 CARBON ADDITIONS; BORON ADDITIONS; elemental
393 semiconductors; self-diffusion",
394 URL = "http://link.aip.org/link/?JAP/84/1963/1",
395 doi = "10.1063/1.368328",
396 notes = "kinetic monte carlo of si self interstitial
401 title = "Barrier to Migration of the Silicon
403 author = "Y. Bar-Yam and J. D. Joannopoulos",
404 journal = "Phys. Rev. Lett.",
407 pages = "1129--1132",
411 doi = "10.1103/PhysRevLett.52.1129",
412 publisher = "American Physical Society",
413 notes = "si self-interstitial migration barrier",
416 @Article{bar-yam84_2,
417 title = "Electronic structure and total-energy migration
418 barriers of silicon self-interstitials",
419 author = "Y. Bar-Yam and J. D. Joannopoulos",
420 journal = "Phys. Rev. B",
423 pages = "1844--1852",
427 doi = "10.1103/PhysRevB.30.1844",
428 publisher = "American Physical Society",
432 title = "First-principles calculations of self-diffusion
433 constants in silicon",
434 author = "Peter E. Bl{\"o}chl and Enrico Smargiassi and R. Car
435 and D. B. Laks and W. Andreoni and S. T. Pantelides",
436 journal = "Phys. Rev. Lett.",
439 pages = "2435--2438",
443 doi = "10.1103/PhysRevLett.70.2435",
444 publisher = "American Physical Society",
445 notes = "si self int diffusion by ab initio md, formation
446 entropy calculations",
450 title = "Tight-binding theory of native point defects in
452 author = "L. Colombo",
453 journal = "Annu. Rev. Mater. Res.",
458 doi = "10.1146/annurev.matsci.32.111601.103036",
459 publisher = "Annual Reviews",
460 notes = "si self interstitial, tbmd, virial stress",
463 @Article{al-mushadani03,
464 title = "Free-energy calculations of intrinsic point defects in
466 author = "O. K. Al-Mushadani and R. J. Needs",
467 journal = "Phys. Rev. B",
474 doi = "10.1103/PhysRevB.68.235205",
475 publisher = "American Physical Society",
476 notes = "formation energies of intrinisc point defects in
477 silicon, si self interstitials, free energy",
480 @Article{goedecker02,
481 title = "A Fourfold Coordinated Point Defect in Silicon",
482 author = "Stefan Goedecker and Thierry Deutsch and Luc Billard",
483 journal = "Phys. Rev. Lett.",
490 doi = "10.1103/PhysRevLett.88.235501",
491 publisher = "American Physical Society",
492 notes = "first time ffcd, fourfold coordinated point defect in
497 title = "Ab initio molecular dynamics simulation of
498 self-interstitial diffusion in silicon",
499 author = "Beat Sahli and Wolfgang Fichtner",
500 journal = "Phys. Rev. B",
507 doi = "10.1103/PhysRevB.72.245210",
508 publisher = "American Physical Society",
509 notes = "si self int, diffusion, barrier height, voronoi
514 title = "Ab initio calculations of the interaction between
515 native point defects in silicon",
516 journal = "Mater. Sci. Eng., B",
521 note = "EMRS 2005, Symposium D - Materials Science and Device
522 Issues for Future Technologies",
524 doi = "DOI: 10.1016/j.mseb.2005.08.072",
525 URL = "http://www.sciencedirect.com/science/article/B6TXF-4H6PKRB-3/2/e217bd3d7ee1fffee899eeb4a2f133a4",
526 author = "G. Hobler and G. Kresse",
527 notes = "vasp intrinsic si defect interaction study, capture
532 title = "Ab initio study of self-diffusion in silicon over a
533 wide temperature range: Point defect states and
534 migration mechanisms",
535 author = "Shangyi Ma and Shaoqing Wang",
536 journal = "Phys. Rev. B",
543 doi = "10.1103/PhysRevB.81.193203",
544 publisher = "American Physical Society",
545 notes = "si self interstitial diffusion + refs",
549 title = "Atomistic simulations on the thermal stability of the
550 antisite pair in 3{C}- and 4{H}-Si{C}",
551 author = "M. Posselt and F. Gao and W. J. Weber",
552 journal = "Phys. Rev. B",
559 doi = "10.1103/PhysRevB.73.125206",
560 publisher = "American Physical Society",
564 title = "Correlation between self-diffusion in Si and the
565 migration mechanisms of vacancies and
566 self-interstitials: An atomistic study",
567 author = "M. Posselt and F. Gao and H. Bracht",
568 journal = "Phys. Rev. B",
575 doi = "10.1103/PhysRevB.78.035208",
576 publisher = "American Physical Society",
577 notes = "si self-interstitial and vacancy diffusion, stillinger
582 title = "Ab initio and empirical-potential studies of defect
583 properties in $3{C}-Si{C}$",
584 author = "F. Gao and E. J. Bylaska and W. J. Weber and L. R.
586 journal = "Phys. Rev. B",
593 doi = "10.1103/PhysRevB.64.245208",
594 publisher = "American Physical Society",
595 notes = "defects in 3c-sic",
599 title = "Empirical potential approach for defect properties in
601 journal = "Nucl. Instrum. Methods Phys. Res. B",
608 doi = "DOI: 10.1016/S0168-583X(02)00600-6",
609 URL = "http://www.sciencedirect.com/science/article/B6TJN-453NR6B-G/2/e65b0730e94e13d66f72a2147b449ea7",
610 author = "Fei Gao and William J. Weber",
611 keywords = "Empirical potential",
612 keywords = "Defect properties",
613 keywords = "Silicon carbide",
614 keywords = "Computer simulation",
615 notes = "sic potential, brenner type, like erhart/albe",
619 title = "Atomistic study of intrinsic defect migration in
621 author = "Fei Gao and William J. Weber and M. Posselt and V.
623 journal = "Phys. Rev. B",
630 doi = "10.1103/PhysRevB.69.245205",
631 publisher = "American Physical Society",
632 notes = "defect migration in sic",
636 author = "F. Gao and J. Du and E. J. Bylaska and M. Posselt and
639 title = "Ab Initio atomic simulations of antisite pair recovery
640 in cubic silicon carbide",
643 journal = "Appl. Phys. Lett.",
649 keywords = "ab initio calculations; silicon compounds; antisite
650 defects; wide band gap semiconductors; molecular
651 dynamics method; density functional theory;
652 electron-hole recombination; photoluminescence;
653 impurities; diffusion",
654 URL = "http://link.aip.org/link/?APL/90/221915/1",
655 doi = "10.1063/1.2743751",
658 @Article{mattoni2002,
659 title = "Self-interstitial trapping by carbon complexes in
660 crystalline silicon",
661 author = "A. Mattoni and F. Bernardini and L. Colombo",
662 journal = "Phys. Rev. B",
669 doi = "10.1103/PhysRevB.66.195214",
670 publisher = "American Physical Society",
671 notes = "c in c-si, diffusion, interstitial configuration +
672 links, interaction of carbon and silicon interstitials,
673 tersoff suitability",
677 title = "Calculations of Silicon Self-Interstitial Defects",
678 author = "W.-K. Leung and R. J. Needs and G. Rajagopal and S.
680 journal = "Phys. Rev. Lett.",
683 pages = "2351--2354",
687 doi = "10.1103/PhysRevLett.83.2351",
688 publisher = "American Physical Society",
689 notes = "nice images of the defects, si defect overview +
694 title = "Identification of the migration path of interstitial
696 author = "R. B. Capaz and A. {Dal Pino} and J. D. Joannopoulos",
697 journal = "Phys. Rev. B",
700 pages = "7439--7442",
704 doi = "10.1103/PhysRevB.50.7439",
705 publisher = "American Physical Society",
706 notes = "carbon interstitial migration path shown, 001 c-si
711 title = "Theory of carbon-carbon pairs in silicon",
712 author = "R. B. Capaz and A. {Dal Pino} and J. D. Joannopoulos",
713 journal = "Phys. Rev. B",
716 pages = "9845--9850",
720 doi = "10.1103/PhysRevB.58.9845",
721 publisher = "American Physical Society",
722 notes = "c_i c_s pair configuration, theoretical results",
726 title = "Bistable interstitial-carbon--substitutional-carbon
728 author = "L. W. Song and X. D. Zhan and B. W. Benson and G. D.
730 journal = "Phys. Rev. B",
733 pages = "5765--5783",
737 doi = "10.1103/PhysRevB.42.5765",
738 publisher = "American Physical Society",
739 notes = "c_i c_s pair configuration, experimental results",
743 author = "Chun-Li Liu and Wolfgang Windl and Len Borucki and
744 Shifeng Lu and Xiang-Yang Liu",
746 title = "Ab initio modeling and experimental study of {C}--{B}
750 journal = "Appl. Phys. Lett.",
754 keywords = "silicon; boron; carbon; elemental semiconductors;
755 impurity-defect interactions; ab initio calculations;
756 secondary ion mass spectra; diffusion; interstitials",
757 URL = "http://link.aip.org/link/?APL/80/52/1",
758 doi = "10.1063/1.1430505",
759 notes = "c-c 100 split, lower as a and b states of capaz",
763 title = "Ab initio investigation of carbon-related defects in
765 author = "A. {Dal Pino} and Andrew M. Rappe and J. D.
767 journal = "Phys. Rev. B",
770 pages = "12554--12557",
774 doi = "10.1103/PhysRevB.47.12554",
775 publisher = "American Physical Society",
776 notes = "c interstitials in crystalline silicon",
780 title = "Microscopic Theory of Atomic Diffusion Mechanisms in
782 author = "Roberto Car and Paul J. Kelly and Atsushi Oshiyama and
783 Sokrates T. Pantelides",
784 journal = "Phys. Rev. Lett.",
787 pages = "1814--1817",
791 doi = "10.1103/PhysRevLett.52.1814",
792 publisher = "American Physical Society",
793 notes = "microscopic theory diffusion silicon dft migration
798 title = "Unified Approach for Molecular Dynamics and
799 Density-Functional Theory",
800 author = "R. Car and M. Parrinello",
801 journal = "Phys. Rev. Lett.",
804 pages = "2471--2474",
808 doi = "10.1103/PhysRevLett.55.2471",
809 publisher = "American Physical Society",
810 notes = "car parrinello method, dft and md",
814 title = "Short-range order, bulk moduli, and physical trends in
815 c-$Si1-x$$Cx$ alloys",
816 author = "P. C. Kelires",
817 journal = "Phys. Rev. B",
820 pages = "8784--8787",
824 doi = "10.1103/PhysRevB.55.8784",
825 publisher = "American Physical Society",
826 notes = "c strained si, montecarlo md, bulk moduli, next
831 title = "Monte Carlo Studies of Ternary Semiconductor Alloys:
832 Application to the $Si1-x-yGexCy$ System",
833 author = "P. C. Kelires",
834 journal = "Phys. Rev. Lett.",
837 pages = "1114--1117",
841 doi = "10.1103/PhysRevLett.75.1114",
842 publisher = "American Physical Society",
843 notes = "mc md, strain compensation in si ge by c insertion",
847 title = "Low temperature electron irradiation of silicon
849 journal = "Solid State Communications",
856 doi = "DOI: 10.1016/0038-1098(70)90074-8",
857 URL = "http://www.sciencedirect.com/science/article/B6TVW-46MF8S4-156/2/5f4d9c189a3d97227fde9214195aa081",
858 author = "A. R. Bean and R. C. Newman",
862 title = "{EPR} Observation of the Isolated Interstitial Carbon
864 author = "G. D. Watkins and K. L. Brower",
865 journal = "Phys. Rev. Lett.",
868 pages = "1329--1332",
872 doi = "10.1103/PhysRevLett.36.1329",
873 publisher = "American Physical Society",
874 notes = "epr observations of 100 interstitial carbon atom in
879 title = "{EPR} identification of the single-acceptor state of
880 interstitial carbon in silicon",
881 author = "L. W. Song and G. D. Watkins",
882 journal = "Phys. Rev. B",
885 pages = "5759--5764",
889 doi = "10.1103/PhysRevB.42.5759",
890 publisher = "American Physical Society",
891 notes = "carbon diffusion in silicon",
895 author = "A K Tipping and R C Newman",
896 title = "The diffusion coefficient of interstitial carbon in
898 journal = "Semicond. Sci. Technol.",
902 URL = "http://stacks.iop.org/0268-1242/2/315",
904 notes = "diffusion coefficient of carbon interstitials in
909 title = "Carbon incorporation into Si at high concentrations by
910 ion implantation and solid phase epitaxy",
911 author = "J. W. Strane and S. R. Lee and H. J. Stein and S. T.
912 Picraux and J. K. Watanabe and J. W. Mayer",
913 journal = "J. Appl. Phys.",
918 doi = "10.1063/1.360806",
919 notes = "strained silicon, carbon supersaturation",
922 @Article{laveant2002,
923 title = "Epitaxy of carbon-rich silicon with {MBE}",
924 journal = "Mater. Sci. Eng., B",
930 doi = "DOI: 10.1016/S0921-5107(01)00794-2",
931 URL = "http://www.sciencedirect.com/science/article/B6TXF-44YVPGS-1V/2/024ece074ad18ebbec62a39a2510a268",
932 author = "P. Lav\'eant and G. Gerth and P. Werner and U.
934 notes = "low c in si, tensile stress to compensate compressive
935 stress, avoid sic precipitation",
939 author = "P. Werner and S. Eichler and G. Mariani and R.
940 K{\"{o}}gler and W. Skorupa",
941 title = "Investigation of {C}[sub x]Si defects in {C} implanted
942 silicon by transmission electron microscopy",
945 journal = "Appl. Phys. Lett.",
949 keywords = "silicon; ion implantation; carbon; crystal defects;
950 transmission electron microscopy; annealing; positron
951 annihilation; secondary ion mass spectroscopy; buried
952 layers; precipitation",
953 URL = "http://link.aip.org/link/?APL/70/252/1",
954 doi = "10.1063/1.118381",
955 notes = "si-c complexes, agglomerate, sic in si matrix, sic
959 @InProceedings{werner96,
960 author = "P. Werner and R. K{\"{o}}gler and W. Skorupa and D.
962 booktitle = "Ion Implantation Technology. Proceedings of the 11th
963 International Conference on",
964 title = "{TEM} investigation of {C}-Si defects in carbon
971 doi = "10.1109/IIT.1996.586497",
973 notes = "c-si agglomerates dumbbells",
977 author = "P. Werner and U. G{\"{o}}sele and H.-J. Gossmann and
980 title = "Carbon diffusion in silicon",
983 journal = "Appl. Phys. Lett.",
986 pages = "2465--2467",
987 keywords = "silicon; carbon; elemental semiconductors; diffusion;
988 secondary ion mass spectra; semiconductor epitaxial
989 layers; annealing; impurity-defect interactions;
990 impurity distribution",
991 URL = "http://link.aip.org/link/?APL/73/2465/1",
992 doi = "10.1063/1.122483",
993 notes = "c diffusion in si, kick out mechnism",
997 author = "J. W. Strane and H. J. Stein and S. R. Lee and S. T.
998 Picraux and J. K. Watanabe and J. W. Mayer",
1000 title = "Precipitation and relaxation in strained Si[sub 1 -
1001 y]{C}[sub y]/Si heterostructures",
1004 journal = "J. Appl. Phys.",
1007 pages = "3656--3668",
1008 keywords = "SILICON CARBIDES; SILICON; PRECIPITATION; STRAINS",
1009 URL = "http://link.aip.org/link/?JAP/76/3656/1",
1010 doi = "10.1063/1.357429",
1011 notes = "strained si-c to 3c-sic, carbon nucleation + refs,
1012 precipitation by substitutional carbon, coherent prec,
1013 coherent to incoherent transition strain vs interface
1018 author = "G. G. Fischer and P. Zaumseil and E. Bugiel and H. J.
1021 title = "Investigation of the high temperature behavior of
1022 strained Si[sub 1 - y]{C}[sub y] /Si heterostructures",
1025 journal = "J. Appl. Phys.",
1028 pages = "1934--1937",
1029 keywords = "SILICON CARBIDES; SILICON; HETEROSTRUCTURES; STRAINS;
1030 XRD; MOLECULAR BEAM EPITAXY; STABILITY; TENSILE
1031 PROPERTIES; EPITAXIAL LAYERS; ANNEALING; PRECIPITATION;
1032 TEMPERATURE RANGE 04001000 K",
1033 URL = "http://link.aip.org/link/?JAP/77/1934/1",
1034 doi = "10.1063/1.358826",
1038 title = "Prospects for device implementation of wide band gap
1040 author = "J. H. Edgar",
1041 journal = "J. Mater. Res.",
1046 doi = "10.1557/JMR.1992.0235",
1047 notes = "properties wide band gap semiconductor, sic
1051 @Article{zirkelbach2007,
1052 title = "Monte Carlo simulation study of a selforganisation
1053 process leading to ordered precipitate structures",
1054 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1056 journal = "Nucl. Instr. and Meth. B",
1063 doi = "doi:10.1016/j.nimb.2006.12.118",
1064 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
1068 @Article{zirkelbach2006,
1069 title = "Monte-Carlo simulation study of the self-organization
1070 of nanometric amorphous precipitates in regular arrays
1071 during ion irradiation",
1072 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1074 journal = "Nucl. Instr. and Meth. B",
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1113 Silicon Materials Research for Electronic and
1114 Photovoltaic Applications",
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1169 nanocrystals for the ion beam synthesis of buried Si{C}
1171 journal = "Nucl. Instrum. Methods Phys. Res. B",
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1196 notes = "3c-sic precipitation model, c-si dimers (dumbbells)",
1200 title = "Ion beam synthesis of buried Si{C} layers in silicon:
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1215 title = "High-dose carbon implantations into silicon:
1216 fundamental studies for new technological tricks",
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1218 journal = "Appl. Phys. A",
1222 doi = "10.1007/s00339-002-2062-8",
1223 notes = "ibs, burried sic layers",
1227 title = "On the balance between ion beam induced nanoparticle
1228 formation and displacive precipitate resolution in the
1230 journal = "Mater. Sci. Eng., C",
1235 note = "Current Trends in Nanoscience - from Materials to
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1247 application in buffer layer for Ga{N} epitaxial
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1254 note = "APHYS'03 Special Issue",
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1258 author = "Y. Ito and T. Yamauchi and A. Yamamoto and M. Sasase
1259 and S. Nishio and K. Yasuda and Y. Ishigami",
1260 notes = "gan on 3c-sic",
1264 author = "B. J. Alder and T. E. Wainwright",
1265 title = "Phase Transition for a Hard Sphere System",
1268 journal = "J. Chem. Phys.",
1271 pages = "1208--1209",
1272 URL = "http://link.aip.org/link/?JCP/27/1208/1",
1273 doi = "10.1063/1.1743957",
1277 author = "B. J. Alder and T. E. Wainwright",
1278 title = "Studies in Molecular Dynamics. {I}. General Method",
1281 journal = "J. Chem. Phys.",
1285 URL = "http://link.aip.org/link/?JCP/31/459/1",
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1292 author = "J. Tersoff",
1293 journal = "Phys. Rev. Lett.",
1300 doi = "10.1103/PhysRevLett.56.632",
1301 publisher = "American Physical Society",
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1315 doi = "10.1103/PhysRevB.37.6991",
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1319 @Article{tersoff_si3,
1320 title = "Empirical interatomic potential for silicon with
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1322 author = "J. Tersoff",
1323 journal = "Phys. Rev. B",
1326 pages = "9902--9905",
1330 doi = "10.1103/PhysRevB.38.9902",
1331 publisher = "American Physical Society",
1335 title = "Empirical Interatomic Potential for Carbon, with
1336 Applications to Amorphous Carbon",
1337 author = "J. Tersoff",
1338 journal = "Phys. Rev. Lett.",
1341 pages = "2879--2882",
1345 doi = "10.1103/PhysRevLett.61.2879",
1346 publisher = "American Physical Society",
1350 title = "Modeling solid-state chemistry: Interatomic potentials
1351 for multicomponent systems",
1352 author = "J. Tersoff",
1353 journal = "Phys. Rev. B",
1356 pages = "5566--5568",
1360 doi = "10.1103/PhysRevB.39.5566",
1361 publisher = "American Physical Society",
1365 title = "Carbon defects and defect reactions in silicon",
1366 author = "J. Tersoff",
1367 journal = "Phys. Rev. Lett.",
1370 pages = "1757--1760",
1374 doi = "10.1103/PhysRevLett.64.1757",
1375 publisher = "American Physical Society",
1379 title = "Point defects and dopant diffusion in silicon",
1380 author = "P. M. Fahey and P. B. Griffin and J. D. Plummer",
1381 journal = "Rev. Mod. Phys.",
1388 doi = "10.1103/RevModPhys.61.289",
1389 publisher = "American Physical Society",
1393 title = "Silicon carbide: synthesis and processing",
1394 journal = "Nucl. Instrum. Methods Phys. Res. B",
1399 note = "Radiation Effects in Insulators",
1401 doi = "DOI: 10.1016/0168-583X(96)00065-1",
1402 URL = "http://www.sciencedirect.com/science/article/B6TJN-3VXHNFT-C7/2/4216cb1ec9e422c22de5fed7360fb06e",
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1407 author = "H. Morko\c{c} and S. Strite and G. B. Gao and M. E.
1408 Lin and B. Sverdlov and M. Burns",
1410 title = "Large-band-gap Si{C}, {III}-{V} nitride, and {II}-{VI}
1411 ZnSe-based semiconductor device technologies",
1414 journal = "J. Appl. Phys.",
1417 pages = "1363--1398",
1418 keywords = "SEMICONDUCTOR DEVICES; SILICON CARBIDES; GALLIUM
1419 NITRIDES; ZINC SELENIDES; SUBSTRATES; MOS JUNCTIONS;
1420 LASER MATERIALS; MATERIALS; REVIEWS; ENERGY GAP; THIN
1422 URL = "http://link.aip.org/link/?JAP/76/1363/1",
1423 doi = "10.1063/1.358463",
1424 notes = "sic intro, properties",
1428 author = "P. G. Neudeck",
1429 title = "{PROGRESS} {IN} {SILICON}-{CARBIDE} {SEMICONDUCTOR}
1430 {ELECTRONICS} {TECHNOLOGY}",
1431 journal = "Journal of Electronic Materials",
1440 author = "Noch Unbekannt",
1441 title = "How to find references",
1442 journal = "Journal of Applied References",
1449 title = "Atomistic simulation of thermomechanical properties of
1451 author = "Meijie Tang and Sidney Yip",
1452 journal = "Phys. Rev. B",
1455 pages = "15150--15159",
1458 doi = "10.1103/PhysRevB.52.15150",
1459 notes = "modified tersoff, scale cutoff with volume, promising
1460 tersoff reparametrization",
1461 publisher = "American Physical Society",
1465 title = "Silicon carbide as a new {MEMS} technology",
1466 journal = "Sensors and Actuators A: Physical",
1472 doi = "DOI: 10.1016/S0924-4247(99)00335-0",
1473 URL = "http://www.sciencedirect.com/science/article/B6THG-406VM55-13/2/75385a587669b215d9ef88029a93fd59",
1474 author = "Pasqualina M. Sarro",
1476 keywords = "Silicon carbide",
1477 keywords = "Micromachining",
1478 keywords = "Mechanical stress",
1482 title = "Status of silicon carbide (Si{C}) as a wide-bandgap
1483 semiconductor for high-temperature applications: {A}
1485 journal = "Solid-State Electronics",
1488 pages = "1409--1422",
1491 doi = "DOI: 10.1016/0038-1101(96)00045-7",
1492 URL = "http://www.sciencedirect.com/science/article/B6TY5-3VSR9J0-1/2/a871c11636e937dc45bfdf48e29f725b",
1493 author = "J. B. Casady and R. W. Johnson",
1494 notes = "sic intro",
1497 @Article{giancarli98,
1498 title = "Design requirements for Si{C}/Si{C} composites
1499 structural material in fusion power reactor blankets",
1500 journal = "Fusion Engineering and Design",
1506 doi = "DOI: 10.1016/S0920-3796(97)00200-7",
1507 URL = "http://www.sciencedirect.com/science/article/B6V3C-3V8RYK8-T/2/16949194114900fd1330f79892d7a7be",
1508 author = "L. Giancarli and J. P. Bonal and A. Caso and G. Le
1509 Marois and N. B. Morley and J. F. Salavy",
1513 title = "Electrical and optical characterization of Si{C}",
1514 journal = "Physica B: Condensed Matter",
1520 doi = "DOI: 10.1016/0921-4526(93)90249-6",
1521 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8HRX-99/2/eab9398bf2bbf10df3ae42c2ab28a776",
1522 author = "G. Pensl and W. J. Choyke",
1526 title = "Investigation of growth processes of ingots of silicon
1527 carbide single crystals",
1528 journal = "J. Cryst. Growth",
1533 notes = "modified lely process",
1535 doi = "DOI: 10.1016/0022-0248(78)90169-0",
1536 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BY2NR-7S/2/fa6fee78ebd8322491f6366e72d5b6dc",
1537 author = "Yu. M. Tairov and V. F. Tsvetkov",
1541 author = "Shigehiro Nishino and J. Anthony Powell and Herbert A.
1544 title = "Production of large-area single-crystal wafers of
1545 cubic Si{C} for semiconductor devices",
1548 journal = "Appl. Phys. Lett.",
1552 keywords = "silicon carbides; layers; chemical vapor deposition;
1554 URL = "http://link.aip.org/link/?APL/42/460/1",
1555 doi = "10.1063/1.93970",
1556 notes = "cvd of 3c-sic on si, sic buffer layer",
1560 author = "Shigehiro Nishino and Hajime Suhara and Hideyuki Ono
1561 and Hiroyuki Matsunami",
1563 title = "Epitaxial growth and electric characteristics of cubic
1567 journal = "J. Appl. Phys.",
1570 pages = "4889--4893",
1571 URL = "http://link.aip.org/link/?JAP/61/4889/1",
1572 doi = "10.1063/1.338355",
1573 notes = "cvd of 3c-sic on si, sic buffer layer, first time
1578 author = "J. Anthony Powell and Lawrence G. Matus and Maria A.
1580 title = "Growth and Characterization of Cubic Si{C}
1581 Single-Crystal Films on Si",
1584 journal = "Journal of The Electrochemical Society",
1587 pages = "1558--1565",
1588 keywords = "semiconductor materials; silicon compounds; carbon
1589 compounds; crystal morphology; electron mobility",
1590 URL = "http://link.aip.org/link/?JES/134/1558/1",
1591 doi = "10.1149/1.2100708",
1592 notes = "blue light emitting diodes (led)",
1596 author = "Tsunenobu Kimoto and Hironori Nishino and Woo Sik Yoo
1597 and Hiroyuki Matsunami",
1598 title = "Growth mechanism of 6{H}-Si{C} in step-controlled
1602 journal = "J. Appl. Phys.",
1606 keywords = "SILICON CARBIDES; EPITAXY; GROWTH RATE; TEMPERATURE
1607 RANGE 10004000 K; TWINNING; ACTIVATION ENERGY; CHEMICAL
1609 URL = "http://link.aip.org/link/?JAP/73/726/1",
1610 doi = "10.1063/1.353329",
1611 notes = "cvd of 6h-sic on 6h-sic, twinned 3c-sic",
1615 author = "J. A. Powell and D. J. Larkin and L. G. Matus and W.
1616 J. Choyke and J. L. Bradshaw and L. Henderson and M.
1617 Yoganathan and J. Yang and P. Pirouz",
1619 title = "Growth of improved quality 3{C}-Si{C} films on
1620 6{H}-Si{C} substrates",
1623 journal = "Appl. Phys. Lett.",
1626 pages = "1353--1355",
1627 keywords = "SILICON CARBIDES; CHEMICAL VAPOR DEPOSITION; SORPTIVE
1628 PROPERTIES; PHOTOLUMINESCENCE; TRANSMISSION ELECTRON
1629 MICROSCOPY; DEFECT STRUCTURE; STACKING FAULTS; VAPOR
1631 URL = "http://link.aip.org/link/?APL/56/1353/1",
1632 doi = "10.1063/1.102512",
1633 notes = "cvd of 3c-sic on 6h-sic",
1637 author = "C. Yuan and A. J. Steckl and J. Chaudhuri and R.
1638 Thokala and M. J. Loboda",
1640 title = "Reduced temperature growth of crystalline 3{C}-Si{C}
1641 films on 6{H}-Si{C} by chemical vapor deposition from
1645 journal = "J. Appl. Phys.",
1648 pages = "1271--1273",
1649 keywords = "SILICON CARBIDES; THIN FILMS; CVD; EPITAXY; ABSORPTION
1650 EDGE; CRYSTAL STRUCTURE; STRAINS; DISLOCATIONS; XRD;
1652 URL = "http://link.aip.org/link/?JAP/78/1271/1",
1653 doi = "10.1063/1.360368",
1654 notes = "3c-sic on 6h-sic, cvd, reduced temperature",
1658 title = "Epitaxial growth of Si{C} thin films on Si-stabilized
1659 [alpha]-Si{C}(0001) at low temperatures by solid-source
1660 molecular beam epitaxy",
1661 journal = "J. Cryst. Growth",
1667 doi = "DOI: 10.1016/0022-0248(95)00170-0",
1668 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3Y5MMXM-1N/2/65549019b878bf02d5ec645b7eea9e98",
1669 author = "A. Fissel and U. Kaiser and E. Ducke and B.
1670 Schr{\"{o}}ter and W. Richter",
1671 notes = "solid source mbe of 3c-sic on si and 6h-sic",
1674 @Article{fissel95_apl,
1675 author = "A. Fissel and B. Schr{\"{o}}ter and W. Richter",
1677 title = "Low-temperature growth of Si{C} thin films on Si and
1678 6{H}--Si{C} by solid-source molecular beam epitaxy",
1681 journal = "Appl. Phys. Lett.",
1684 pages = "3182--3184",
1685 keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
1687 URL = "http://link.aip.org/link/?APL/66/3182/1",
1688 doi = "10.1063/1.113716",
1689 notes = "mbe 3c-sic on si and 6h-sic",
1693 author = "J. A. Borders and S. T. Picraux and W. Beezhold",
1695 title = "{FORMATION} {OF} Si{C} {IN} {SILICON} {BY} {ION}
1699 journal = "Appl. Phys. Lett.",
1703 URL = "http://link.aip.org/link/?APL/18/509/1",
1704 doi = "10.1063/1.1653516",
1705 notes = "first time sic by ibs, follow cites for precipitation
1710 author = "K. J. Reeson and P. L. F. Hemment and J. Stoemenos and
1711 J. Davis and G. E. Celler",
1713 title = "Formation of buried layers of beta-Si{C} using ion
1714 beam synthesis and incoherent lamp annealing",
1717 journal = "Appl. Phys. Lett.",
1720 pages = "2242--2244",
1721 keywords = "SILICON CARBIDES; FILM GROWTH; SOLIDPHASE EPITAXY; ION
1722 IMPLANTATION; CARBON IONS; DOPING PROFILES; SYNTHESIS",
1723 URL = "http://link.aip.org/link/?APL/51/2242/1",
1724 doi = "10.1063/1.98953",
1725 notes = "nice tem images, sic by ibs",
1729 author = "R. I. Scace and G. A. Slack",
1731 title = "Solubility of Carbon in Silicon and Germanium",
1734 journal = "J. Chem. Phys.",
1737 pages = "1551--1555",
1738 URL = "http://link.aip.org/link/?JCP/30/1551/1",
1739 doi = "10.1063/1.1730236",
1740 notes = "solubility of c in c-si, si-c phase diagram",
1744 author = "N. E. B. Cowern and A. Cacciato and J. S. Custer and
1745 F. W. Saris and W. Vandervorst",
1747 title = "Role of {C} and {B} clusters in transient diffusion of
1751 journal = "Appl. Phys. Lett.",
1754 pages = "1150--1152",
1755 keywords = "ATOMIC CLUSTERS; BORON ADDITIONS; CRYSTAL DOPING;
1756 DIFFUSION; DOPED MATERIALS; IMPURITIES; INTERSTITIALS;
1758 URL = "http://link.aip.org/link/?APL/68/1150/1",
1759 doi = "10.1063/1.115706",
1760 notes = "suppression of transient enhanced diffusion (ted)",
1764 title = "Implantation and transient boron diffusion: the role
1765 of the silicon self-interstitial",
1766 journal = "Nucl. Instrum. Methods Phys. Res. B",
1771 note = "Selected Papers of the Tenth International Conference
1772 on Ion Implantation Technology (IIT '94)",
1774 doi = "DOI: 10.1016/0168-583X(94)00481-1",
1775 URL = "http://www.sciencedirect.com/science/article/B6TJN-40WKY1P-29/2/602c6e5b809221323d2d2968edd0a71c",
1776 author = "P. A. Stolk and H. -J. Gossmann and D. J. Eaglesham
1781 author = "P. A. Stolk and H.-J. Gossmann and D. J. Eaglesham and
1782 D. C. Jacobson and C. S. Rafferty and G. H. Gilmer and
1783 M. Jara\'{\i}z and J. M. Poate and H. S. Luftman and T.
1786 title = "Physical mechanisms of transient enhanced dopant
1787 diffusion in ion-implanted silicon",
1790 journal = "J. Appl. Phys.",
1793 pages = "6031--6050",
1794 URL = "http://link.aip.org/link/?JAP/81/6031/1",
1795 doi = "10.1063/1.364452",
1796 notes = "ted, transient enhanced diffusion, c silicon trap",
1800 author = "A. R. Powell and F. K. LeGoues and S. S. Iyer",
1802 title = "Formation of beta-Si{C} nanocrystals by the relaxation
1803 of Si[sub 1 - y]{C}[sub y] random alloy layers",
1806 journal = "Appl. Phys. Lett.",
1810 keywords = "SILICON CARBIDES; NANOSTRUCTURES; DISPERSIONS;
1811 EPITAXIAL LAYERS; STRESS RELAXATION; ANNEALING;
1812 TEMPERATURE EFFECTS; PRECIPITATION; DISLOCATIONS;
1814 URL = "http://link.aip.org/link/?APL/64/324/1",
1815 doi = "10.1063/1.111195",
1816 notes = "beta sic nano crystals in si, mbe, annealing",
1820 author = "Richard A. Soref",
1822 title = "Optical band gap of the ternary semiconductor Si[sub 1
1823 - x - y]Ge[sub x]{C}[sub y]",
1826 journal = "J. Appl. Phys.",
1829 pages = "2470--2472",
1830 keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; ENERGY GAP;
1831 OPTICAL PROPERTIES; DIAMONDS; SEMICONDUCTOR ALLOYS;
1833 URL = "http://link.aip.org/link/?JAP/70/2470/1",
1834 doi = "10.1063/1.349403",
1835 notes = "band gap of strained si by c",
1839 author = "E Kasper",
1840 title = "Superlattices of group {IV} elements, a new
1841 possibility to produce direct band gap material",
1842 journal = "Physica Scripta",
1845 URL = "http://stacks.iop.org/1402-4896/T35/232",
1847 notes = "superlattices, convert indirect band gap into a
1852 author = "H. J. Osten and J. Griesche and S. Scalese",
1854 title = "Substitutional carbon incorporation in epitaxial
1855 Si[sub 1 - y]{C}[sub y] alloys on Si(001) grown by
1856 molecular beam epitaxy",
1859 journal = "Appl. Phys. Lett.",
1863 keywords = "molecular beam epitaxial growth; semiconductor growth;
1864 wide band gap semiconductors; interstitials; silicon
1866 URL = "http://link.aip.org/link/?APL/74/836/1",
1867 doi = "10.1063/1.123384",
1868 notes = "substitutional c in si",
1871 @Article{hohenberg64,
1872 title = "Inhomogeneous Electron Gas",
1873 author = "P. Hohenberg and W. Kohn",
1874 journal = "Phys. Rev.",
1877 pages = "B864--B871",
1881 doi = "10.1103/PhysRev.136.B864",
1882 publisher = "American Physical Society",
1883 notes = "density functional theory, dft",
1887 title = "Self-Consistent Equations Including Exchange and
1888 Correlation Effects",
1889 author = "W. Kohn and L. J. Sham",
1890 journal = "Phys. Rev.",
1893 pages = "A1133--A1138",
1897 doi = "10.1103/PhysRev.140.A1133",
1898 publisher = "American Physical Society",
1899 notes = "dft, exchange and correlation",
1903 title = "Strain-stabilized highly concentrated pseudomorphic
1904 $Si1-x$$Cx$ layers in Si",
1905 author = "H. R{\"u}cker and M. Methfessel and E. Bugiel and H.
1907 journal = "Phys. Rev. Lett.",
1910 pages = "3578--3581",
1914 doi = "10.1103/PhysRevLett.72.3578",
1915 publisher = "American Physical Society",
1916 notes = "high c concentration in si, heterostructure, strained
1921 title = "Electron Transport Model for Strained Silicon-Carbon
1923 author = "Shu-Tong Chang and Chung-Yi Lin",
1924 journal = "Japanese J. Appl. Phys.",
1927 pages = "2257--2262",
1930 URL = "http://jjap.ipap.jp/link?JJAP/44/2257/",
1931 doi = "10.1143/JJAP.44.2257",
1932 publisher = "The Japan Society of Applied Physics",
1933 notes = "enhance of electron mobility in starined si",
1937 author = "H. J. Osten and P. Gaworzewski",
1939 title = "Charge transport in strained Si[sub 1 - y]{C}[sub y]
1940 and Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloys on
1944 journal = "J. Appl. Phys.",
1947 pages = "4977--4981",
1948 keywords = "silicon compounds; Ge-Si alloys; wide band gap
1949 semiconductors; semiconductor epitaxial layers; carrier
1950 density; Hall mobility; interstitials; defect states",
1951 URL = "http://link.aip.org/link/?JAP/82/4977/1",
1952 doi = "10.1063/1.366364",
1953 notes = "charge transport in strained si",
1957 title = "Carbon-mediated aggregation of self-interstitials in
1958 silicon: {A} large-scale molecular dynamics study",
1959 author = "Sumeet S. Kapur and Manish Prasad and Talid Sinno",
1960 journal = "Phys. Rev. B",
1967 doi = "10.1103/PhysRevB.69.155214",
1968 publisher = "American Physical Society",
1969 notes = "simulation using promising tersoff reparametrization",
1973 title = "Event-Based Relaxation of Continuous Disordered
1975 author = "G. T. Barkema and Normand Mousseau",
1976 journal = "Phys. Rev. Lett.",
1979 pages = "4358--4361",
1983 doi = "10.1103/PhysRevLett.77.4358",
1984 publisher = "American Physical Society",
1985 notes = "activation relaxation technique, art, speed up slow
1990 author = "E. Canc\`{e}s and F. Legoll and M.-C. Marinica and K.
1991 Minoukadeh and F. Willaime",
1993 title = "Some improvements of the activation-relaxation
1994 technique method for finding transition pathways on
1995 potential energy surfaces",
1998 journal = "J. Chem. Phys.",
2004 keywords = "eigenvalues and eigenfunctions; iron; potential energy
2005 surfaces; vacancies (crystal)",
2006 URL = "http://link.aip.org/link/?JCP/130/114711/1",
2007 doi = "10.1063/1.3088532",
2008 notes = "improvements to art, refs for methods to find
2009 transition pathways",
2012 @Article{parrinello81,
2013 author = "M. Parrinello and A. Rahman",
2015 title = "Polymorphic transitions in single crystals: {A} new
2016 molecular dynamics method",
2019 journal = "J. Appl. Phys.",
2022 pages = "7182--7190",
2023 keywords = "MONOCRYSTALS; PHASE TRANSFORMATIONS; STRUCTURAL
2024 MODELS; DYNAMICS; THEORETICAL DATA; STRESSES;
2025 CONFIGURATION; LAGRANGE EQUATIONS; SIZE; NICKEL;
2026 COMPRESSION; TENSILE PROPERTIES; COMPARATIVE
2027 EVALUATIONS; STRAINS; CUBIC LATTICES; HCP LATTICES;
2029 URL = "http://link.aip.org/link/?JAP/52/7182/1",
2030 doi = "10.1063/1.328693",
2033 @Article{stillinger85,
2034 title = "Computer simulation of local order in condensed phases
2036 author = "Frank H. Stillinger and Thomas A. Weber",
2037 journal = "Phys. Rev. B",
2040 pages = "5262--5271",
2044 doi = "10.1103/PhysRevB.31.5262",
2045 publisher = "American Physical Society",
2049 title = "Empirical potential for hydrocarbons for use in
2050 simulating the chemical vapor deposition of diamond
2052 author = "Donald W. Brenner",
2053 journal = "Phys. Rev. B",
2056 pages = "9458--9471",
2060 doi = "10.1103/PhysRevB.42.9458",
2061 publisher = "American Physical Society",
2062 notes = "brenner hydro carbons",
2066 title = "Modeling of Covalent Bonding in Solids by Inversion of
2067 Cohesive Energy Curves",
2068 author = "Martin Z. Bazant and Efthimios Kaxiras",
2069 journal = "Phys. Rev. Lett.",
2072 pages = "4370--4373",
2076 doi = "10.1103/PhysRevLett.77.4370",
2077 publisher = "American Physical Society",
2078 notes = "first si edip",
2082 title = "Environment-dependent interatomic potential for bulk
2084 author = "Martin Z. Bazant and Efthimios Kaxiras and J. F.
2086 journal = "Phys. Rev. B",
2089 pages = "8542--8552",
2093 doi = "10.1103/PhysRevB.56.8542",
2094 publisher = "American Physical Society",
2095 notes = "second si edip",
2099 title = "Interatomic potential for silicon defects and
2101 author = "Jo\tilde{a}o F. Justo and Martin Z. Bazant and
2102 Efthimios Kaxiras and V. V. Bulatov and Sidney Yip",
2103 journal = "Phys. Rev. B",
2106 pages = "2539--2550",
2110 doi = "10.1103/PhysRevB.58.2539",
2111 publisher = "American Physical Society",
2112 notes = "latest si edip, good dislocation explanation",
2116 title = "{PARCAS} molecular dynamics code",
2117 author = "K. Nordlund",
2122 title = "Hyperdynamics: Accelerated Molecular Dynamics of
2124 author = "Arthur F. Voter",
2125 journal = "Phys. Rev. Lett.",
2128 pages = "3908--3911",
2132 doi = "10.1103/PhysRevLett.78.3908",
2133 publisher = "American Physical Society",
2134 notes = "hyperdynamics, accelerated md",
2138 author = "Arthur F. Voter",
2140 title = "A method for accelerating the molecular dynamics
2141 simulation of infrequent events",
2144 journal = "J. Chem. Phys.",
2147 pages = "4665--4677",
2148 keywords = "COMPUTERIZED SIMULATION; NICKEL; DIFFUSION; ATOM
2149 TRANSPORT; MOLECULAR ORBITAL METHOD; POTENTIAL ENERGY;
2150 SURFACE POTENTIAL; MOLECULAR DYNAMICS METHOD; potential
2151 energy functions; surface diffusion; reaction kinetics
2152 theory; potential energy surfaces",
2153 URL = "http://link.aip.org/link/?JCP/106/4665/1",
2154 doi = "10.1063/1.473503",
2155 notes = "improved hyperdynamics md",
2158 @Article{sorensen2000,
2159 author = "Mads R. S\o rensen and Arthur F. Voter",
2161 title = "Temperature-accelerated dynamics for simulation of
2165 journal = "J. Chem. Phys.",
2168 pages = "9599--9606",
2169 keywords = "SOLID STATE PHYSICS; SIMULATION; DIFFUSION; SURFACES;
2170 MOLECULAR DYNAMICS METHOD; surface diffusion",
2171 URL = "http://link.aip.org/link/?JCP/112/9599/1",
2172 doi = "10.1063/1.481576",
2173 notes = "temperature accelerated dynamics, tad",
2177 title = "Parallel replica method for dynamics of infrequent
2179 author = "Arthur F. Voter",
2180 journal = "Phys. Rev. B",
2183 pages = "R13985--R13988",
2187 doi = "10.1103/PhysRevB.57.R13985",
2188 publisher = "American Physical Society",
2189 notes = "parallel replica method, accelerated md",
2193 author = "Xiongwu Wu and Shaomeng Wang",
2195 title = "Enhancing systematic motion in molecular dynamics
2199 journal = "J. Chem. Phys.",
2202 pages = "9401--9410",
2203 keywords = "molecular dynamics method; argon; Lennard-Jones
2204 potential; crystallisation; liquid theory",
2205 URL = "http://link.aip.org/link/?JCP/110/9401/1",
2206 doi = "10.1063/1.478948",
2207 notes = "self guided md, sgmd, accelerated md, enhancing
2211 @Article{choudhary05,
2212 author = "Devashish Choudhary and Paulette Clancy",
2214 title = "Application of accelerated molecular dynamics schemes
2215 to the production of amorphous silicon",
2218 journal = "J. Chem. Phys.",
2224 keywords = "molecular dynamics method; silicon; glass structure;
2225 amorphous semiconductors",
2226 URL = "http://link.aip.org/link/?JCP/122/154509/1",
2227 doi = "10.1063/1.1878733",
2228 notes = "explanation of sgmd and hyper md, applied to amorphous
2233 author = "W. J. Taylor and T. Y. Tan and U. G{\"{o}}sele",
2235 title = "Carbon precipitation in silicon: Why is it so
2239 journal = "Appl. Phys. Lett.",
2242 pages = "3336--3338",
2243 keywords = "SILICON; CARBON ADDITIONS; OXYGEN ADDITIONS; DOPED
2244 MATERIALS; PRECIPITATION; THERMODYNAMICS; SURFACE
2246 URL = "http://link.aip.org/link/?APL/62/3336/1",
2247 doi = "10.1063/1.109063",
2248 notes = "interfacial energy of cubic sic and si",
2251 @Article{chaussende08,
2252 title = "Prospects for 3{C}-Si{C} bulk crystal growth",
2253 journal = "J. Cryst. Growth",
2258 note = "Proceedings of the E-MRS Conference, Symposium G -
2259 Substrates of Wide Bandgap Materials",
2261 doi = "DOI: 10.1016/j.jcrysgro.2007.11.140",
2262 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4R7J67S-F/2/e92fc194b652409f5b119393d608b082",
2263 author = "D. Chaussende and F. Mercier and A. Boulle and F.
2264 Conchon and M. Soueidan and G. Ferro and A. Mantzari
2265 and A. Andreadou and E. K. Polychroniadis and C.
2266 Balloud and S. Juillaguet and J. Camassel and M. Pons",
2267 notes = "3c-sic crystal growth, sic fabrication + links,
2272 title = "Forces in Molecules",
2273 author = "R. P. Feynman",
2274 journal = "Phys. Rev.",
2281 doi = "10.1103/PhysRev.56.340",
2282 publisher = "American Physical Society",
2283 notes = "hellmann feynman forces",
2287 title = "Bonding Arrangements at the $Si-Si{O}_{2}$ and
2288 $Si{C}-Si{O}_{2}$ Interfaces and a Possible Origin of
2289 their Contrasting Properties",
2290 author = "Ryszard Buczko and Stephen J. Pennycook and Sokrates
2292 journal = "Phys. Rev. Lett.",
2299 doi = "10.1103/PhysRevLett.84.943",
2300 publisher = "American Physical Society",
2301 notes = "si sio2 and sic sio2 interface",
2304 @Article{djurabekova08,
2305 title = "Atomistic simulation of the interface structure of Si
2306 nanocrystals embedded in amorphous silica",
2307 author = "Flyura Djurabekova and Kai Nordlund",
2308 journal = "Phys. Rev. B",
2315 doi = "10.1103/PhysRevB.77.115325",
2316 publisher = "American Physical Society",
2317 notes = "nc-si in sio2, interface energy, nc construction,
2318 angular distribution, coordination",
2322 author = "C. Wen and Y. M. Wang and W. Wan and F. H. Li and J.
2323 W. Liang and J. Zou",
2325 title = "Nature of interfacial defects and their roles in
2326 strain relaxation at highly lattice mismatched
2327 3{C}-Si{C}/Si (001) interface",
2330 journal = "J. Appl. Phys.",
2336 keywords = "anelastic relaxation; crystal structure; dislocations;
2337 elemental semiconductors; semiconductor growth;
2338 semiconductor thin films; silicon; silicon compounds;
2339 stacking faults; wide band gap semiconductors",
2340 URL = "http://link.aip.org/link/?JAP/106/073522/1",
2341 doi = "10.1063/1.3234380",
2342 notes = "sic/si interface, follow refs, tem image
2343 deconvolution, dislocation defects",
2346 @Article{kitabatake93,
2347 author = "Makoto Kitabatake and Masahiro Deguchi and Takashi
2350 title = "Simulations and experiments of Si{C} heteroepitaxial
2351 growth on Si(001) surface",
2354 journal = "J. Appl. Phys.",
2357 pages = "4438--4445",
2358 keywords = "SILICON CARBIDES; FILM GROWTH; SIMULATION; MOLECULAR
2359 BEAM EPITAXY; MOLECULAR DYNAMICS CALCULATIONS; SILICON;
2360 MICROSTRUCTURE; ULTRAVIOLET RADIATION; IRRADIATION",
2361 URL = "http://link.aip.org/link/?JAP/74/4438/1",
2362 doi = "10.1063/1.354385",
2363 notes = "mbe and md of sic growth on si, 4 to 5 shrinkage
2368 title = "Strain relaxation and thermal stability of the
2369 3{C}-Si{C}(001)/Si(001) interface: {A} molecular
2371 journal = "Thin Solid Films",
2378 doi = "DOI: 10.1016/S0040-6090(96)09257-7",
2379 URL = "http://www.sciencedirect.com/science/article/B6TW0-41WBB52-C/2/6ef684a04d02dd3b108f972377cde8f4",
2380 author = "V. Chirita and L. Hultman and L. R. Wallenberg",
2381 keywords = "Strain relaxation",
2382 keywords = "Interfaces",
2383 keywords = "Thermal stability",
2384 keywords = "Molecular dynamics",
2385 notes = "tersoff sic/si interface study",
2389 title = "Ab initio Study of Misfit Dislocations at the
2390 $Si{C}/Si(001)$ Interface",
2391 author = "Giancarlo Cicero and Laurent Pizzagalli and Alessandra
2393 journal = "Phys. Rev. Lett.",
2400 doi = "10.1103/PhysRevLett.89.156101",
2401 publisher = "American Physical Society",
2402 notes = "sic/si interface study",
2405 @Article{pizzagalli03,
2406 title = "Theoretical investigations of a highly mismatched
2407 interface: Si{C}/Si(001)",
2408 author = "Laurent Pizzagalli and Giancarlo Cicero and Alessandra
2410 journal = "Phys. Rev. B",
2417 doi = "10.1103/PhysRevB.68.195302",
2418 publisher = "American Physical Society",
2419 notes = "tersoff md and ab initio sic/si interface study",
2423 title = "Atomic configurations of dislocation core and twin
2424 boundaries in $ 3{C}-Si{C} $ studied by high-resolution
2425 electron microscopy",
2426 author = "C. Y. Tang and F. H. Li and R. Wang and J. Zou and X.
2427 H. Zheng and J. W. Liang",
2428 journal = "Phys. Rev. B",
2435 doi = "10.1103/PhysRevB.75.184103",
2436 publisher = "American Physical Society",
2437 notes = "hrem image deconvolution on 3c-sic on si, distinguish
2441 @Article{hornstra58,
2442 title = "Dislocations in the diamond lattice",
2443 journal = "Journal of Physics and Chemistry of Solids",
2450 doi = "DOI: 10.1016/0022-3697(58)90138-0",
2451 URL = "http://www.sciencedirect.com/science/article/B6TXR-46MMPHJ-10D/2/7176c01c29cd4e73faa26ab2aacdcea5",
2452 author = "J. Hornstra",
2453 notes = "dislocations in diamond lattice",
2457 title = "Synthesis of $\beta$-Si{C} Layer in Silicon by Carbon
2458 Ion `Hot' Implantation",
2459 author = "Masahiro Deguchi and Makoto Kitabatake and Takashi
2460 Hirao and Naoki Arai and Tomio Izumi",
2461 journal = "Japanese Journal of Applied Physics",
2463 number = "Part 1, No. 2A",
2467 URL = "http://jjap.ipap.jp/link?JJAP/31/343/",
2468 doi = "10.1143/JJAP.31.343",
2469 publisher = "The Japan Society of Applied Physics",
2470 notes = "c-c bonds in c implanted si, hot implantation
2471 efficiency, c-c hard to break by thermal annealing",
2474 @Article{eichhorn99,
2475 author = "F. Eichhorn and N. Schell and W. Matz and R.
2478 title = "Strain and Si{C} particle formation in silicon
2479 implanted with carbon ions of medium fluence studied by
2480 synchrotron x-ray diffraction",
2483 journal = "J. Appl. Phys.",
2486 pages = "4184--4187",
2487 keywords = "silicon; carbon; elemental semiconductors; chemical
2488 interdiffusion; ion implantation; X-ray diffraction;
2489 precipitation; semiconductor doping",
2490 URL = "http://link.aip.org/link/?JAP/86/4184/1",
2491 doi = "10.1063/1.371344",
2492 notes = "sic conversion by ibs, detected substitutional carbon,
2493 expansion of si lattice",
2496 @Article{eichhorn02,
2497 author = "F. Eichhorn and N. Schell and A. M{\"{u}}cklich and H.
2498 Metzger and W. Matz and R. K{\"{o}}gler",
2500 title = "Structural relation between Si and Si{C} formed by
2501 carbon ion implantation",
2504 journal = "J. Appl. Phys.",
2507 pages = "1287--1292",
2508 keywords = "silicon compounds; wide band gap semiconductors; ion
2509 implantation; annealing; X-ray scattering; transmission
2510 electron microscopy",
2511 URL = "http://link.aip.org/link/?JAP/91/1287/1",
2512 doi = "10.1063/1.1428105",
2513 notes = "3c-sic alignement to si host in ibs depending on
2514 temperature, might explain c into c sub trafo",
2518 author = "G Lucas and M Bertolus and L Pizzagalli",
2519 title = "An environment-dependent interatomic potential for
2520 silicon carbide: calculation of bulk properties,
2521 high-pressure phases, point and extended defects, and
2522 amorphous structures",
2523 journal = "J. Phys.: Condens. Matter",
2527 URL = "http://stacks.iop.org/0953-8984/22/i=3/a=035802",
2533 author = "J Godet and L Pizzagalli and S Brochard and P
2535 title = "Comparison between classical potentials and ab initio
2536 methods for silicon under large shear",
2537 journal = "J. Phys.: Condens. Matter",
2541 URL = "http://stacks.iop.org/0953-8984/15/i=41/a=004",
2543 notes = "comparison of empirical potentials, stillinger weber,
2544 edip, tersoff, ab initio",
2547 @Article{moriguchi98,
2548 title = "Verification of Tersoff's Potential for Static
2549 Structural Analysis of Solids of Group-{IV} Elements",
2550 author = "Koji Moriguchi and Akira Shintani",
2551 journal = "Japanese J. Appl. Phys.",
2553 number = "Part 1, No. 2",
2557 URL = "http://jjap.ipap.jp/link?JJAP/37/414/",
2558 doi = "10.1143/JJAP.37.414",
2559 publisher = "The Japan Society of Applied Physics",
2560 notes = "tersoff stringent test",
2563 @Article{mazzarolo01,
2564 title = "Low-energy recoils in crystalline silicon: Quantum
2566 author = "Massimiliano Mazzarolo and Luciano Colombo and Giorgio
2567 Lulli and Eros Albertazzi",
2568 journal = "Phys. Rev. B",
2575 doi = "10.1103/PhysRevB.63.195207",
2576 publisher = "American Physical Society",
2579 @Article{holmstroem08,
2580 title = "Threshold defect production in silicon determined by
2581 density functional theory molecular dynamics
2583 author = "E. Holmstr{\"o}m and A. Kuronen and K. Nordlund",
2584 journal = "Phys. Rev. B",
2591 doi = "10.1103/PhysRevB.78.045202",
2592 publisher = "American Physical Society",
2593 notes = "threshold displacement comparison empirical and ab
2597 @Article{nordlund97,
2598 title = "Repulsive interatomic potentials calculated using
2599 Hartree-Fock and density-functional theory methods",
2600 journal = "Nucl. Instrum. Methods Phys. Res. B",
2607 doi = "DOI: 10.1016/S0168-583X(97)00447-3",
2608 URL = "http://www.sciencedirect.com/science/article/B6TJN-4CP0TGF-91/2/1a9100c0aae82d2d258fc83dfdba23c1",
2609 author = "K. Nordlund and N. Runeberg and D. Sundholm",
2610 notes = "repulsive ab initio potential",
2614 title = "Efficiency of ab-initio total energy calculations for
2615 metals and semiconductors using a plane-wave basis
2617 journal = "Comput. Mater. Sci.",
2624 doi = "DOI: 10.1016/0927-0256(96)00008-0",
2625 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74",
2626 author = "G. Kresse and J. Furthm{\"{u}}ller",
2631 title = "Projector augmented-wave method",
2632 author = "P. E. Bl{\"o}chl",
2633 journal = "Phys. Rev. B",
2636 pages = "17953--17979",
2640 doi = "10.1103/PhysRevB.50.17953",
2641 publisher = "American Physical Society",
2642 notes = "paw method",
2646 title = "Norm-Conserving Pseudopotentials",
2647 author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
2648 journal = "Phys. Rev. Lett.",
2651 pages = "1494--1497",
2655 doi = "10.1103/PhysRevLett.43.1494",
2656 publisher = "American Physical Society",
2657 notes = "norm-conserving pseudopotentials",
2660 @Article{vanderbilt90,
2661 title = "Soft self-consistent pseudopotentials in a generalized
2662 eigenvalue formalism",
2663 author = "David Vanderbilt",
2664 journal = "Phys. Rev. B",
2667 pages = "7892--7895",
2671 doi = "10.1103/PhysRevB.41.7892",
2672 publisher = "American Physical Society",
2673 notes = "vasp pseudopotentials",
2677 title = "Accurate and simple density functional for the
2678 electronic exchange energy: Generalized gradient
2680 author = "John P. Perdew and Yue Wang",
2681 journal = "Phys. Rev. B",
2684 pages = "8800--8802",
2688 doi = "10.1103/PhysRevB.33.8800",
2689 publisher = "American Physical Society",
2690 notes = "rapid communication gga",
2694 title = "Generalized gradient approximations for exchange and
2695 correlation: {A} look backward and forward",
2696 journal = "Physica B: Condensed Matter",
2703 doi = "DOI: 10.1016/0921-4526(91)90409-8",
2704 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8GR9-3D/2/18e610a616e4d80b934079c89063ece7",
2705 author = "John P. Perdew",
2706 notes = "gga overview",
2710 title = "Atoms, molecules, solids, and surfaces: Applications
2711 of the generalized gradient approximation for exchange
2713 author = "John P. Perdew and J. A. Chevary and S. H. Vosko and
2714 Koblar A. Jackson and Mark R. Pederson and D. J. Singh
2715 and Carlos Fiolhais",
2716 journal = "Phys. Rev. B",
2719 pages = "6671--6687",
2723 doi = "10.1103/PhysRevB.46.6671",
2724 publisher = "American Physical Society",
2725 notes = "gga pw91 (as in vasp)",
2728 @Article{baldereschi73,
2729 title = "Mean-Value Point in the Brillouin Zone",
2730 author = "A. Baldereschi",
2731 journal = "Phys. Rev. B",
2734 pages = "5212--5215",
2738 doi = "10.1103/PhysRevB.7.5212",
2739 publisher = "American Physical Society",
2740 notes = "mean value k point",
2744 title = "Ab initio pseudopotential calculations of dopant
2746 journal = "Comput. Mater. Sci.",
2753 doi = "DOI: 10.1016/S0927-0256(98)00023-8",
2754 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VB7F2K-7/2/aa864582273be8e054300efb7bd16a1b",
2755 author = "Jing Zhu",
2756 keywords = "TED (transient enhanced diffusion)",
2757 keywords = "Boron dopant",
2758 keywords = "Carbon dopant",
2759 keywords = "Defect",
2760 keywords = "ab initio pseudopotential method",
2761 keywords = "Impurity cluster",
2762 notes = "binding of c to si interstitial, c in si defects",
2766 author = "A. Nejim and P. L. F. Hemment and J. Stoemenos",
2768 title = "Si{C} buried layer formation by ion beam synthesis at
2772 journal = "Appl. Phys. Lett.",
2775 pages = "2646--2648",
2776 keywords = "SILICON; ION IMPLANTATION; CARBON IONS; SILICON
2777 CARBIDES; BURIED LAYERS; SYNTHESIS; KEV RANGE 100 --
2778 1000; CRYSTAL DEFECTS; MORPHOLOGY; RBS; TRANSMISSION
2779 ELECTRON MICROSCOPY",
2780 URL = "http://link.aip.org/link/?APL/66/2646/1",
2781 doi = "10.1063/1.113112",
2782 notes = "precipitation mechanism by substitutional carbon, si
2783 self interstitials react with further implanted c",
2787 author = "C. Guedj and M. W. Dashiell and L. Kulik and J.
2788 Kolodzey and A. Hairie",
2790 title = "Precipitation of beta-Si{C} in Si[sub 1 - y]{C}[sub y]
2794 journal = "J. Appl. Phys.",
2797 pages = "4631--4633",
2798 keywords = "silicon compounds; precipitation; localised modes;
2799 semiconductor epitaxial layers; infrared spectra;
2800 Fourier transform spectra; thermal stability;
2802 URL = "http://link.aip.org/link/?JAP/84/4631/1",
2803 doi = "10.1063/1.368703",
2804 notes = "coherent 3C-SiC, topotactic, critical coherence size",
2808 author = "R Jones and B J Coomer and P R Briddon",
2809 title = "Quantum mechanical modelling of defects in
2811 journal = "J. Phys.: Condens. Matter",
2815 URL = "http://stacks.iop.org/0953-8984/16/i=27/a=004",
2817 notes = "ab inito init, vibrational modes, c defect in si",
2821 author = "S. Y. Park and J. D'Arcy-Gall and D. Gall and J. A. N.
2822 T Soares and Y.-W. Kim and H. Kim and P. Desjardins and
2823 J. E. Greene and S. G. Bishop",
2825 title = "Carbon incorporation pathways and lattice sites in
2826 Si[sub 1 - y]{C}[sub y] alloys grown on Si(001) by
2827 molecular-beam epitaxy",
2830 journal = "J. Appl. Phys.",
2833 pages = "5716--5727",
2834 URL = "http://link.aip.org/link/?JAP/91/5716/1",
2835 doi = "10.1063/1.1465122",
2836 notes = "c substitutional incorporation pathway, dft and expt",
2840 title = "Dynamic properties of interstitial carbon and
2841 carbon-carbon pair defects in silicon",
2842 author = "P. Leary and R. Jones and S. {\"O}berg and V. J. B.
2844 journal = "Phys. Rev. B",
2847 pages = "2188--2194",
2851 doi = "10.1103/PhysRevB.55.2188",
2852 publisher = "American Physical Society",
2853 notes = "ab initio c in si and di-carbon defect, no formation
2854 energies, different migration barriers and paths",
2858 title = "Interstitial carbon and the carbon-carbon pair in
2859 silicon: Semiempirical electronic-structure
2861 author = "Matthew J. Burnard and Gary G. DeLeo",
2862 journal = "Phys. Rev. B",
2865 pages = "10217--10225",
2869 doi = "10.1103/PhysRevB.47.10217",
2870 publisher = "American Physical Society",
2871 notes = "semi empirical mndo, pm3 and mindo3 c in si and di
2872 carbon defect, formation energies",
2876 title = "Electronic structure of interstitial carbon in
2878 author = "Morgan Besson and Gary G. DeLeo",
2879 journal = "Phys. Rev. B",
2882 pages = "4028--4033",
2886 doi = "10.1103/PhysRevB.43.4028",
2887 publisher = "American Physical Society",
2891 title = "Review of atomistic simulations of surface diffusion
2892 and growth on semiconductors",
2893 journal = "Comput. Mater. Sci.",
2898 note = "Proceedings of the Workshop on Virtual Molecular Beam
2901 doi = "DOI: 10.1016/0927-0256(96)00030-4",
2902 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VSFF1G-7/2/afc8408b00ded1ca2dc3ad1686c2dae6",
2903 author = "Efthimios Kaxiras",
2904 notes = "might contain c 100 db formation energy, overview md,
2905 tight binding, first principles",
2908 @Article{kaukonen98,
2909 title = "Effect of {N} and {B} doping on the growth of {CVD}
2911 $(100):{H}(2\ifmmode\times\else\texttimes\fi{}1)$
2913 author = "M. Kaukonen and P. K. Sitch and G. Jungnickel and R.
2914 M. Nieminen and Sami P{\"o}ykk{\"o} and D. Porezag and
2916 journal = "Phys. Rev. B",
2919 pages = "9965--9970",
2923 doi = "10.1103/PhysRevB.57.9965",
2924 publisher = "American Physical Society",
2925 notes = "constrained conjugate gradient relaxation technique
2930 title = "Correlation between the antisite pair and the ${DI}$
2932 author = "A. Gali and P. De\'ak and E. Rauls and N. T. Son and
2933 I. G. Ivanov and F. H. C. Carlsson and E. Janz\'en and
2935 journal = "Phys. Rev. B",
2942 doi = "10.1103/PhysRevB.67.155203",
2943 publisher = "American Physical Society",
2947 title = "Production and recovery of defects in Si{C} after
2948 irradiation and deformation",
2949 journal = "J. Nucl. Mater.",
2952 pages = "1803--1808",
2956 doi = "DOI: 10.1016/S0022-3115(98)00139-1",
2957 URL = "http://www.sciencedirect.com/science/article/B6TXN-43G486N-47/2/56905f48f025ab98e5de4d6cde09c62b",
2958 author = "J. Chen and P. Jung and H. Klein",
2962 title = "Accumulation, dynamic annealing and thermal recovery
2963 of ion-beam-induced disorder in silicon carbide",
2964 journal = "Nucl. Instrum. Methods Phys. Res. B",
2971 doi = "DOI: 10.1016/S0168-583X(00)00542-5",
2972 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KH7Y-2R/2/8acc176700c95bb8614d96c40cfc5577",
2973 author = "W. J. Weber and W. Jiang and S. Thevuthasan",
2974 keywords = "Amorphization",
2975 keywords = "Irradiation effects",
2976 keywords = "Thermal recovery",
2977 keywords = "Silicon carbide",
2980 @Article{bockstedte03,
2981 title = "Ab initio study of the migration of intrinsic defects
2983 author = "Michel Bockstedte and Alexander Mattausch and Oleg
2985 journal = "Phys. Rev. B",
2992 doi = "10.1103/PhysRevB.68.205201",
2993 publisher = "American Physical Society",
2994 notes = "defect migration in sic",
2998 title = "Theoretical study of vacancy diffusion and
2999 vacancy-assisted clustering of antisites in Si{C}",
3000 author = "E. Rauls and Th. Frauenheim and A. Gali and P.
3002 journal = "Phys. Rev. B",
3009 doi = "10.1103/PhysRevB.68.155208",
3010 publisher = "American Physical Society",