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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1132 K. N. Lindner and W. G. Schmidt and E. Rauls",
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1168 title = "Controlling the density distribution of Si{C}
1169 nanocrystals for the ion beam synthesis of buried Si{C}
1171 journal = "Nucl. Instrum. Methods Phys. Res. B",
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1200 title = "Ion beam synthesis of buried Si{C} layers in silicon:
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1215 title = "High-dose carbon implantations into silicon:
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1217 author = "J. K. N. Lindner",
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
1249 journal = "Applied Surface Science",
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",
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1263 @Article{yamamoto04,
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1266 implantation into Si(1 1 1) substrate",
1267 journal = "Journal of Crystal Growth",
1272 note = "Proceedings of the 11th Biennial (US) Workshop on
1273 Organometallic Vapor Phase Epitaxy (OMVPE)",
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1283 title = "Substrates for gallium nitride epitaxy",
1284 journal = "Materials Science and Engineering: R: Reports",
1291 doi = "DOI: 10.1016/S0927-796X(02)00008-6",
1292 URL = "http://www.sciencedirect.com/science/article/B6TXH-45DFBSV-2/2/38c47e77fa91f23f8649a044e7135401",
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1297 @Article{takeuchi91,
1298 title = "Growth of single crystalline Ga{N} film on Si
1299 substrate using 3{C}-Si{C} as an intermediate layer",
1300 journal = "Journal of Crystal Growth",
1307 doi = "DOI: 10.1016/0022-0248(91)90817-O",
1308 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46FJ525-TY/2/7bb50016a50b1dd1dbc36b43c46b3140",
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1311 notes = "gan on 3c-sic (first time?)",
1315 author = "B. J. Alder and T. E. Wainwright",
1316 title = "Phase Transition for a Hard Sphere System",
1319 journal = "J. Chem. Phys.",
1322 pages = "1208--1209",
1323 URL = "http://link.aip.org/link/?JCP/27/1208/1",
1324 doi = "10.1063/1.1743957",
1328 author = "B. J. Alder and T. E. Wainwright",
1329 title = "Studies in Molecular Dynamics. {I}. General Method",
1332 journal = "J. Chem. Phys.",
1336 URL = "http://link.aip.org/link/?JCP/31/459/1",
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1340 @Article{tersoff_si1,
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1343 author = "J. Tersoff",
1344 journal = "Phys. Rev. Lett.",
1351 doi = "10.1103/PhysRevLett.56.632",
1352 publisher = "American Physical Society",
1355 @Article{tersoff_si2,
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1362 pages = "6991--7000",
1366 doi = "10.1103/PhysRevB.37.6991",
1367 publisher = "American Physical Society",
1370 @Article{tersoff_si3,
1371 title = "Empirical interatomic potential for silicon with
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1377 pages = "9902--9905",
1381 doi = "10.1103/PhysRevB.38.9902",
1382 publisher = "American Physical Society",
1386 title = "Empirical Interatomic Potential for Carbon, with
1387 Applications to Amorphous Carbon",
1388 author = "J. Tersoff",
1389 journal = "Phys. Rev. Lett.",
1392 pages = "2879--2882",
1396 doi = "10.1103/PhysRevLett.61.2879",
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1404 journal = "Phys. Rev. B",
1407 pages = "5566--5568",
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1412 publisher = "American Physical Society",
1416 title = "Carbon defects and defect reactions in silicon",
1417 author = "J. Tersoff",
1418 journal = "Phys. Rev. Lett.",
1421 pages = "1757--1760",
1425 doi = "10.1103/PhysRevLett.64.1757",
1426 publisher = "American Physical Society",
1430 title = "Point defects and dopant diffusion in silicon",
1431 author = "P. M. Fahey and P. B. Griffin and J. D. Plummer",
1432 journal = "Rev. Mod. Phys.",
1439 doi = "10.1103/RevModPhys.61.289",
1440 publisher = "American Physical Society",
1444 title = "Silicon carbide: synthesis and processing",
1445 journal = "Nucl. Instrum. Methods Phys. Res. B",
1450 note = "Radiation Effects in Insulators",
1452 doi = "DOI: 10.1016/0168-583X(96)00065-1",
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1458 author = "H. Morko\c{c} and S. Strite and G. B. Gao and M. E.
1459 Lin and B. Sverdlov and M. Burns",
1461 title = "Large-band-gap Si{C}, {III}-{V} nitride, and {II}-{VI}
1462 ZnSe-based semiconductor device technologies",
1465 journal = "J. Appl. Phys.",
1468 pages = "1363--1398",
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1470 NITRIDES; ZINC SELENIDES; SUBSTRATES; MOS JUNCTIONS;
1471 LASER MATERIALS; MATERIALS; REVIEWS; ENERGY GAP; THIN
1473 URL = "http://link.aip.org/link/?JAP/76/1363/1",
1474 doi = "10.1063/1.358463",
1475 notes = "sic intro, properties",
1479 author = "P. G. Neudeck",
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1481 {ELECTRONICS} {TECHNOLOGY}",
1482 journal = "Journal of Electronic Materials",
1491 author = "Noch Unbekannt",
1492 title = "How to find references",
1493 journal = "Journal of Applied References",
1500 title = "Atomistic simulation of thermomechanical properties of
1502 author = "Meijie Tang and Sidney Yip",
1503 journal = "Phys. Rev. B",
1506 pages = "15150--15159",
1509 doi = "10.1103/PhysRevB.52.15150",
1510 notes = "modified tersoff, scale cutoff with volume, promising
1511 tersoff reparametrization",
1512 publisher = "American Physical Society",
1516 title = "Silicon carbide as a new {MEMS} technology",
1517 journal = "Sensors and Actuators A: Physical",
1523 doi = "DOI: 10.1016/S0924-4247(99)00335-0",
1524 URL = "http://www.sciencedirect.com/science/article/B6THG-406VM55-13/2/75385a587669b215d9ef88029a93fd59",
1525 author = "Pasqualina M. Sarro",
1527 keywords = "Silicon carbide",
1528 keywords = "Micromachining",
1529 keywords = "Mechanical stress",
1533 title = "Status of silicon carbide (Si{C}) as a wide-bandgap
1534 semiconductor for high-temperature applications: {A}
1536 journal = "Solid-State Electronics",
1539 pages = "1409--1422",
1542 doi = "DOI: 10.1016/0038-1101(96)00045-7",
1543 URL = "http://www.sciencedirect.com/science/article/B6TY5-3VSR9J0-1/2/a871c11636e937dc45bfdf48e29f725b",
1544 author = "J. B. Casady and R. W. Johnson",
1545 notes = "sic intro",
1548 @Article{giancarli98,
1549 title = "Design requirements for Si{C}/Si{C} composites
1550 structural material in fusion power reactor blankets",
1551 journal = "Fusion Engineering and Design",
1557 doi = "DOI: 10.1016/S0920-3796(97)00200-7",
1558 URL = "http://www.sciencedirect.com/science/article/B6V3C-3V8RYK8-T/2/16949194114900fd1330f79892d7a7be",
1559 author = "L. Giancarli and J. P. Bonal and A. Caso and G. Le
1560 Marois and N. B. Morley and J. F. Salavy",
1564 title = "Electrical and optical characterization of Si{C}",
1565 journal = "Physica B: Condensed Matter",
1571 doi = "DOI: 10.1016/0921-4526(93)90249-6",
1572 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8HRX-99/2/eab9398bf2bbf10df3ae42c2ab28a776",
1573 author = "G. Pensl and W. J. Choyke",
1577 title = "Investigation of growth processes of ingots of silicon
1578 carbide single crystals",
1579 journal = "J. Cryst. Growth",
1584 notes = "modified lely process",
1586 doi = "DOI: 10.1016/0022-0248(78)90169-0",
1587 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BY2NR-7S/2/fa6fee78ebd8322491f6366e72d5b6dc",
1588 author = "Yu. M. Tairov and V. F. Tsvetkov",
1592 author = "Shigehiro Nishino and J. Anthony Powell and Herbert A.
1595 title = "Production of large-area single-crystal wafers of
1596 cubic Si{C} for semiconductor devices",
1599 journal = "Appl. Phys. Lett.",
1603 keywords = "silicon carbides; layers; chemical vapor deposition;
1605 URL = "http://link.aip.org/link/?APL/42/460/1",
1606 doi = "10.1063/1.93970",
1607 notes = "cvd of 3c-sic on si, sic buffer layer",
1611 author = "Shigehiro Nishino and Hajime Suhara and Hideyuki Ono
1612 and Hiroyuki Matsunami",
1614 title = "Epitaxial growth and electric characteristics of cubic
1618 journal = "J. Appl. Phys.",
1621 pages = "4889--4893",
1622 URL = "http://link.aip.org/link/?JAP/61/4889/1",
1623 doi = "10.1063/1.338355",
1624 notes = "cvd of 3c-sic on si, sic buffer layer, first time
1629 author = "J. Anthony Powell and Lawrence G. Matus and Maria A.
1631 title = "Growth and Characterization of Cubic Si{C}
1632 Single-Crystal Films on Si",
1635 journal = "Journal of The Electrochemical Society",
1638 pages = "1558--1565",
1639 keywords = "semiconductor materials; silicon compounds; carbon
1640 compounds; crystal morphology; electron mobility",
1641 URL = "http://link.aip.org/link/?JES/134/1558/1",
1642 doi = "10.1149/1.2100708",
1643 notes = "blue light emitting diodes (led)",
1647 author = "Tsunenobu Kimoto and Hironori Nishino and Woo Sik Yoo
1648 and Hiroyuki Matsunami",
1649 title = "Growth mechanism of 6{H}-Si{C} in step-controlled
1653 journal = "J. Appl. Phys.",
1657 keywords = "SILICON CARBIDES; EPITAXY; GROWTH RATE; TEMPERATURE
1658 RANGE 10004000 K; TWINNING; ACTIVATION ENERGY; CHEMICAL
1660 URL = "http://link.aip.org/link/?JAP/73/726/1",
1661 doi = "10.1063/1.353329",
1662 notes = "cvd of 6h-sic on 6h-sic, twinned 3c-sic",
1666 author = "J. A. Powell and D. J. Larkin and L. G. Matus and W.
1667 J. Choyke and J. L. Bradshaw and L. Henderson and M.
1668 Yoganathan and J. Yang and P. Pirouz",
1670 title = "Growth of improved quality 3{C}-Si{C} films on
1671 6{H}-Si{C} substrates",
1674 journal = "Appl. Phys. Lett.",
1677 pages = "1353--1355",
1678 keywords = "SILICON CARBIDES; CHEMICAL VAPOR DEPOSITION; SORPTIVE
1679 PROPERTIES; PHOTOLUMINESCENCE; TRANSMISSION ELECTRON
1680 MICROSCOPY; DEFECT STRUCTURE; STACKING FAULTS; VAPOR
1682 URL = "http://link.aip.org/link/?APL/56/1353/1",
1683 doi = "10.1063/1.102512",
1684 notes = "cvd of 3c-sic on 6h-sic",
1688 author = "C. Yuan and A. J. Steckl and J. Chaudhuri and R.
1689 Thokala and M. J. Loboda",
1691 title = "Reduced temperature growth of crystalline 3{C}-Si{C}
1692 films on 6{H}-Si{C} by chemical vapor deposition from
1696 journal = "J. Appl. Phys.",
1699 pages = "1271--1273",
1700 keywords = "SILICON CARBIDES; THIN FILMS; CVD; EPITAXY; ABSORPTION
1701 EDGE; CRYSTAL STRUCTURE; STRAINS; DISLOCATIONS; XRD;
1703 URL = "http://link.aip.org/link/?JAP/78/1271/1",
1704 doi = "10.1063/1.360368",
1705 notes = "3c-sic on 6h-sic, cvd, reduced temperature",
1709 title = "Epitaxial growth of Si{C} thin films on Si-stabilized
1710 [alpha]-Si{C}(0001) at low temperatures by solid-source
1711 molecular beam epitaxy",
1712 journal = "J. Cryst. Growth",
1718 doi = "DOI: 10.1016/0022-0248(95)00170-0",
1719 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3Y5MMXM-1N/2/65549019b878bf02d5ec645b7eea9e98",
1720 author = "A. Fissel and U. Kaiser and E. Ducke and B.
1721 Schr{\"{o}}ter and W. Richter",
1722 notes = "solid source mbe of 3c-sic on si and 6h-sic",
1725 @Article{fissel95_apl,
1726 author = "A. Fissel and B. Schr{\"{o}}ter and W. Richter",
1728 title = "Low-temperature growth of Si{C} thin films on Si and
1729 6{H}--Si{C} by solid-source molecular beam epitaxy",
1732 journal = "Appl. Phys. Lett.",
1735 pages = "3182--3184",
1736 keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
1738 URL = "http://link.aip.org/link/?APL/66/3182/1",
1739 doi = "10.1063/1.113716",
1740 notes = "mbe 3c-sic on si and 6h-sic",
1744 author = "J. A. Borders and S. T. Picraux and W. Beezhold",
1746 title = "{FORMATION} {OF} Si{C} {IN} {SILICON} {BY} {ION}
1750 journal = "Appl. Phys. Lett.",
1754 URL = "http://link.aip.org/link/?APL/18/509/1",
1755 doi = "10.1063/1.1653516",
1756 notes = "first time sic by ibs, follow cites for precipitation
1761 author = "K. J. Reeson and P. L. F. Hemment and J. Stoemenos and
1762 J. Davis and G. E. Celler",
1764 title = "Formation of buried layers of beta-Si{C} using ion
1765 beam synthesis and incoherent lamp annealing",
1768 journal = "Appl. Phys. Lett.",
1771 pages = "2242--2244",
1772 keywords = "SILICON CARBIDES; FILM GROWTH; SOLIDPHASE EPITAXY; ION
1773 IMPLANTATION; CARBON IONS; DOPING PROFILES; SYNTHESIS",
1774 URL = "http://link.aip.org/link/?APL/51/2242/1",
1775 doi = "10.1063/1.98953",
1776 notes = "nice tem images, sic by ibs",
1780 author = "R. I. Scace and G. A. Slack",
1782 title = "Solubility of Carbon in Silicon and Germanium",
1785 journal = "J. Chem. Phys.",
1788 pages = "1551--1555",
1789 URL = "http://link.aip.org/link/?JCP/30/1551/1",
1790 doi = "10.1063/1.1730236",
1791 notes = "solubility of c in c-si, si-c phase diagram",
1795 author = "N. E. B. Cowern and A. Cacciato and J. S. Custer and
1796 F. W. Saris and W. Vandervorst",
1798 title = "Role of {C} and {B} clusters in transient diffusion of
1802 journal = "Appl. Phys. Lett.",
1805 pages = "1150--1152",
1806 keywords = "ATOMIC CLUSTERS; BORON ADDITIONS; CRYSTAL DOPING;
1807 DIFFUSION; DOPED MATERIALS; IMPURITIES; INTERSTITIALS;
1809 URL = "http://link.aip.org/link/?APL/68/1150/1",
1810 doi = "10.1063/1.115706",
1811 notes = "suppression of transient enhanced diffusion (ted)",
1815 title = "Implantation and transient boron diffusion: the role
1816 of the silicon self-interstitial",
1817 journal = "Nucl. Instrum. Methods Phys. Res. B",
1822 note = "Selected Papers of the Tenth International Conference
1823 on Ion Implantation Technology (IIT '94)",
1825 doi = "DOI: 10.1016/0168-583X(94)00481-1",
1826 URL = "http://www.sciencedirect.com/science/article/B6TJN-40WKY1P-29/2/602c6e5b809221323d2d2968edd0a71c",
1827 author = "P. A. Stolk and H. -J. Gossmann and D. J. Eaglesham
1832 author = "P. A. Stolk and H.-J. Gossmann and D. J. Eaglesham and
1833 D. C. Jacobson and C. S. Rafferty and G. H. Gilmer and
1834 M. Jara\'{\i}z and J. M. Poate and H. S. Luftman and T.
1837 title = "Physical mechanisms of transient enhanced dopant
1838 diffusion in ion-implanted silicon",
1841 journal = "J. Appl. Phys.",
1844 pages = "6031--6050",
1845 URL = "http://link.aip.org/link/?JAP/81/6031/1",
1846 doi = "10.1063/1.364452",
1847 notes = "ted, transient enhanced diffusion, c silicon trap",
1851 author = "A. R. Powell and F. K. LeGoues and S. S. Iyer",
1853 title = "Formation of beta-Si{C} nanocrystals by the relaxation
1854 of Si[sub 1 - y]{C}[sub y] random alloy layers",
1857 journal = "Appl. Phys. Lett.",
1861 keywords = "SILICON CARBIDES; NANOSTRUCTURES; DISPERSIONS;
1862 EPITAXIAL LAYERS; STRESS RELAXATION; ANNEALING;
1863 TEMPERATURE EFFECTS; PRECIPITATION; DISLOCATIONS;
1865 URL = "http://link.aip.org/link/?APL/64/324/1",
1866 doi = "10.1063/1.111195",
1867 notes = "beta sic nano crystals in si, mbe, annealing",
1871 author = "Richard A. Soref",
1873 title = "Optical band gap of the ternary semiconductor Si[sub 1
1874 - x - y]Ge[sub x]{C}[sub y]",
1877 journal = "J. Appl. Phys.",
1880 pages = "2470--2472",
1881 keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; ENERGY GAP;
1882 OPTICAL PROPERTIES; DIAMONDS; SEMICONDUCTOR ALLOYS;
1884 URL = "http://link.aip.org/link/?JAP/70/2470/1",
1885 doi = "10.1063/1.349403",
1886 notes = "band gap of strained si by c",
1890 author = "E Kasper",
1891 title = "Superlattices of group {IV} elements, a new
1892 possibility to produce direct band gap material",
1893 journal = "Physica Scripta",
1896 URL = "http://stacks.iop.org/1402-4896/T35/232",
1898 notes = "superlattices, convert indirect band gap into a
1903 author = "H. J. Osten and J. Griesche and S. Scalese",
1905 title = "Substitutional carbon incorporation in epitaxial
1906 Si[sub 1 - y]{C}[sub y] alloys on Si(001) grown by
1907 molecular beam epitaxy",
1910 journal = "Appl. Phys. Lett.",
1914 keywords = "molecular beam epitaxial growth; semiconductor growth;
1915 wide band gap semiconductors; interstitials; silicon
1917 URL = "http://link.aip.org/link/?APL/74/836/1",
1918 doi = "10.1063/1.123384",
1919 notes = "substitutional c in si",
1922 @Article{hohenberg64,
1923 title = "Inhomogeneous Electron Gas",
1924 author = "P. Hohenberg and W. Kohn",
1925 journal = "Phys. Rev.",
1928 pages = "B864--B871",
1932 doi = "10.1103/PhysRev.136.B864",
1933 publisher = "American Physical Society",
1934 notes = "density functional theory, dft",
1938 title = "Self-Consistent Equations Including Exchange and
1939 Correlation Effects",
1940 author = "W. Kohn and L. J. Sham",
1941 journal = "Phys. Rev.",
1944 pages = "A1133--A1138",
1948 doi = "10.1103/PhysRev.140.A1133",
1949 publisher = "American Physical Society",
1950 notes = "dft, exchange and correlation",
1954 title = "Strain-stabilized highly concentrated pseudomorphic
1955 $Si1-x$$Cx$ layers in Si",
1956 author = "H. R{\"u}cker and M. Methfessel and E. Bugiel and H.
1958 journal = "Phys. Rev. Lett.",
1961 pages = "3578--3581",
1965 doi = "10.1103/PhysRevLett.72.3578",
1966 publisher = "American Physical Society",
1967 notes = "high c concentration in si, heterostructure, strained
1972 title = "Electron Transport Model for Strained Silicon-Carbon
1974 author = "Shu-Tong Chang and Chung-Yi Lin",
1975 journal = "Japanese J. Appl. Phys.",
1978 pages = "2257--2262",
1981 URL = "http://jjap.ipap.jp/link?JJAP/44/2257/",
1982 doi = "10.1143/JJAP.44.2257",
1983 publisher = "The Japan Society of Applied Physics",
1984 notes = "enhance of electron mobility in starined si",
1988 author = "H. J. Osten and P. Gaworzewski",
1990 title = "Charge transport in strained Si[sub 1 - y]{C}[sub y]
1991 and Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloys on
1995 journal = "J. Appl. Phys.",
1998 pages = "4977--4981",
1999 keywords = "silicon compounds; Ge-Si alloys; wide band gap
2000 semiconductors; semiconductor epitaxial layers; carrier
2001 density; Hall mobility; interstitials; defect states",
2002 URL = "http://link.aip.org/link/?JAP/82/4977/1",
2003 doi = "10.1063/1.366364",
2004 notes = "charge transport in strained si",
2008 title = "Carbon-mediated aggregation of self-interstitials in
2009 silicon: {A} large-scale molecular dynamics study",
2010 author = "Sumeet S. Kapur and Manish Prasad and Talid Sinno",
2011 journal = "Phys. Rev. B",
2018 doi = "10.1103/PhysRevB.69.155214",
2019 publisher = "American Physical Society",
2020 notes = "simulation using promising tersoff reparametrization",
2024 title = "Event-Based Relaxation of Continuous Disordered
2026 author = "G. T. Barkema and Normand Mousseau",
2027 journal = "Phys. Rev. Lett.",
2030 pages = "4358--4361",
2034 doi = "10.1103/PhysRevLett.77.4358",
2035 publisher = "American Physical Society",
2036 notes = "activation relaxation technique, art, speed up slow
2041 author = "E. Canc\`{e}s and F. Legoll and M.-C. Marinica and K.
2042 Minoukadeh and F. Willaime",
2044 title = "Some improvements of the activation-relaxation
2045 technique method for finding transition pathways on
2046 potential energy surfaces",
2049 journal = "J. Chem. Phys.",
2055 keywords = "eigenvalues and eigenfunctions; iron; potential energy
2056 surfaces; vacancies (crystal)",
2057 URL = "http://link.aip.org/link/?JCP/130/114711/1",
2058 doi = "10.1063/1.3088532",
2059 notes = "improvements to art, refs for methods to find
2060 transition pathways",
2063 @Article{parrinello81,
2064 author = "M. Parrinello and A. Rahman",
2066 title = "Polymorphic transitions in single crystals: {A} new
2067 molecular dynamics method",
2070 journal = "J. Appl. Phys.",
2073 pages = "7182--7190",
2074 keywords = "MONOCRYSTALS; PHASE TRANSFORMATIONS; STRUCTURAL
2075 MODELS; DYNAMICS; THEORETICAL DATA; STRESSES;
2076 CONFIGURATION; LAGRANGE EQUATIONS; SIZE; NICKEL;
2077 COMPRESSION; TENSILE PROPERTIES; COMPARATIVE
2078 EVALUATIONS; STRAINS; CUBIC LATTICES; HCP LATTICES;
2080 URL = "http://link.aip.org/link/?JAP/52/7182/1",
2081 doi = "10.1063/1.328693",
2084 @Article{stillinger85,
2085 title = "Computer simulation of local order in condensed phases
2087 author = "Frank H. Stillinger and Thomas A. Weber",
2088 journal = "Phys. Rev. B",
2091 pages = "5262--5271",
2095 doi = "10.1103/PhysRevB.31.5262",
2096 publisher = "American Physical Society",
2100 title = "Empirical potential for hydrocarbons for use in
2101 simulating the chemical vapor deposition of diamond
2103 author = "Donald W. Brenner",
2104 journal = "Phys. Rev. B",
2107 pages = "9458--9471",
2111 doi = "10.1103/PhysRevB.42.9458",
2112 publisher = "American Physical Society",
2113 notes = "brenner hydro carbons",
2117 title = "Modeling of Covalent Bonding in Solids by Inversion of
2118 Cohesive Energy Curves",
2119 author = "Martin Z. Bazant and Efthimios Kaxiras",
2120 journal = "Phys. Rev. Lett.",
2123 pages = "4370--4373",
2127 doi = "10.1103/PhysRevLett.77.4370",
2128 publisher = "American Physical Society",
2129 notes = "first si edip",
2133 title = "Environment-dependent interatomic potential for bulk
2135 author = "Martin Z. Bazant and Efthimios Kaxiras and J. F.
2137 journal = "Phys. Rev. B",
2140 pages = "8542--8552",
2144 doi = "10.1103/PhysRevB.56.8542",
2145 publisher = "American Physical Society",
2146 notes = "second si edip",
2150 title = "Interatomic potential for silicon defects and
2152 author = "Jo\tilde{a}o F. Justo and Martin Z. Bazant and
2153 Efthimios Kaxiras and V. V. Bulatov and Sidney Yip",
2154 journal = "Phys. Rev. B",
2157 pages = "2539--2550",
2161 doi = "10.1103/PhysRevB.58.2539",
2162 publisher = "American Physical Society",
2163 notes = "latest si edip, good dislocation explanation",
2167 title = "{PARCAS} molecular dynamics code",
2168 author = "K. Nordlund",
2173 title = "Hyperdynamics: Accelerated Molecular Dynamics of
2175 author = "Arthur F. Voter",
2176 journal = "Phys. Rev. Lett.",
2179 pages = "3908--3911",
2183 doi = "10.1103/PhysRevLett.78.3908",
2184 publisher = "American Physical Society",
2185 notes = "hyperdynamics, accelerated md",
2189 author = "Arthur F. Voter",
2191 title = "A method for accelerating the molecular dynamics
2192 simulation of infrequent events",
2195 journal = "J. Chem. Phys.",
2198 pages = "4665--4677",
2199 keywords = "COMPUTERIZED SIMULATION; NICKEL; DIFFUSION; ATOM
2200 TRANSPORT; MOLECULAR ORBITAL METHOD; POTENTIAL ENERGY;
2201 SURFACE POTENTIAL; MOLECULAR DYNAMICS METHOD; potential
2202 energy functions; surface diffusion; reaction kinetics
2203 theory; potential energy surfaces",
2204 URL = "http://link.aip.org/link/?JCP/106/4665/1",
2205 doi = "10.1063/1.473503",
2206 notes = "improved hyperdynamics md",
2209 @Article{sorensen2000,
2210 author = "Mads R. S{\o }rensen and Arthur F. Voter",
2212 title = "Temperature-accelerated dynamics for simulation of
2216 journal = "J. Chem. Phys.",
2219 pages = "9599--9606",
2220 keywords = "SOLID STATE PHYSICS; SIMULATION; DIFFUSION; SURFACES;
2221 MOLECULAR DYNAMICS METHOD; surface diffusion",
2222 URL = "http://link.aip.org/link/?JCP/112/9599/1",
2223 doi = "10.1063/1.481576",
2224 notes = "temperature accelerated dynamics, tad",
2228 title = "Parallel replica method for dynamics of infrequent
2230 author = "Arthur F. Voter",
2231 journal = "Phys. Rev. B",
2234 pages = "R13985--R13988",
2238 doi = "10.1103/PhysRevB.57.R13985",
2239 publisher = "American Physical Society",
2240 notes = "parallel replica method, accelerated md",
2244 author = "Xiongwu Wu and Shaomeng Wang",
2246 title = "Enhancing systematic motion in molecular dynamics
2250 journal = "J. Chem. Phys.",
2253 pages = "9401--9410",
2254 keywords = "molecular dynamics method; argon; Lennard-Jones
2255 potential; crystallisation; liquid theory",
2256 URL = "http://link.aip.org/link/?JCP/110/9401/1",
2257 doi = "10.1063/1.478948",
2258 notes = "self guided md, sgmd, accelerated md, enhancing
2262 @Article{choudhary05,
2263 author = "Devashish Choudhary and Paulette Clancy",
2265 title = "Application of accelerated molecular dynamics schemes
2266 to the production of amorphous silicon",
2269 journal = "J. Chem. Phys.",
2275 keywords = "molecular dynamics method; silicon; glass structure;
2276 amorphous semiconductors",
2277 URL = "http://link.aip.org/link/?JCP/122/154509/1",
2278 doi = "10.1063/1.1878733",
2279 notes = "explanation of sgmd and hyper md, applied to amorphous
2284 author = "W. J. Taylor and T. Y. Tan and U. G{\"{o}}sele",
2286 title = "Carbon precipitation in silicon: Why is it so
2290 journal = "Appl. Phys. Lett.",
2293 pages = "3336--3338",
2294 keywords = "SILICON; CARBON ADDITIONS; OXYGEN ADDITIONS; DOPED
2295 MATERIALS; PRECIPITATION; THERMODYNAMICS; SURFACE
2297 URL = "http://link.aip.org/link/?APL/62/3336/1",
2298 doi = "10.1063/1.109063",
2299 notes = "interfacial energy of cubic sic and si",
2302 @Article{chaussende08,
2303 title = "Prospects for 3{C}-Si{C} bulk crystal growth",
2304 journal = "J. Cryst. Growth",
2309 note = "Proceedings of the E-MRS Conference, Symposium G -
2310 Substrates of Wide Bandgap Materials",
2312 doi = "DOI: 10.1016/j.jcrysgro.2007.11.140",
2313 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4R7J67S-F/2/e92fc194b652409f5b119393d608b082",
2314 author = "D. Chaussende and F. Mercier and A. Boulle and F.
2315 Conchon and M. Soueidan and G. Ferro and A. Mantzari
2316 and A. Andreadou and E. K. Polychroniadis and C.
2317 Balloud and S. Juillaguet and J. Camassel and M. Pons",
2318 notes = "3c-sic crystal growth, sic fabrication + links,
2323 title = "Forces in Molecules",
2324 author = "R. P. Feynman",
2325 journal = "Phys. Rev.",
2332 doi = "10.1103/PhysRev.56.340",
2333 publisher = "American Physical Society",
2334 notes = "hellmann feynman forces",
2338 title = "Bonding Arrangements at the $Si-Si{O}_{2}$ and
2339 $Si{C}-Si{O}_{2}$ Interfaces and a Possible Origin of
2340 their Contrasting Properties",
2341 author = "Ryszard Buczko and Stephen J. Pennycook and Sokrates
2343 journal = "Phys. Rev. Lett.",
2350 doi = "10.1103/PhysRevLett.84.943",
2351 publisher = "American Physical Society",
2352 notes = "si sio2 and sic sio2 interface",
2355 @Article{djurabekova08,
2356 title = "Atomistic simulation of the interface structure of Si
2357 nanocrystals embedded in amorphous silica",
2358 author = "Flyura Djurabekova and Kai Nordlund",
2359 journal = "Phys. Rev. B",
2366 doi = "10.1103/PhysRevB.77.115325",
2367 publisher = "American Physical Society",
2368 notes = "nc-si in sio2, interface energy, nc construction,
2369 angular distribution, coordination",
2373 author = "C. Wen and Y. M. Wang and W. Wan and F. H. Li and J.
2374 W. Liang and J. Zou",
2376 title = "Nature of interfacial defects and their roles in
2377 strain relaxation at highly lattice mismatched
2378 3{C}-Si{C}/Si (001) interface",
2381 journal = "J. Appl. Phys.",
2387 keywords = "anelastic relaxation; crystal structure; dislocations;
2388 elemental semiconductors; semiconductor growth;
2389 semiconductor thin films; silicon; silicon compounds;
2390 stacking faults; wide band gap semiconductors",
2391 URL = "http://link.aip.org/link/?JAP/106/073522/1",
2392 doi = "10.1063/1.3234380",
2393 notes = "sic/si interface, follow refs, tem image
2394 deconvolution, dislocation defects",
2397 @Article{kitabatake93,
2398 author = "Makoto Kitabatake and Masahiro Deguchi and Takashi
2401 title = "Simulations and experiments of Si{C} heteroepitaxial
2402 growth on Si(001) surface",
2405 journal = "J. Appl. Phys.",
2408 pages = "4438--4445",
2409 keywords = "SILICON CARBIDES; FILM GROWTH; SIMULATION; MOLECULAR
2410 BEAM EPITAXY; MOLECULAR DYNAMICS CALCULATIONS; SILICON;
2411 MICROSTRUCTURE; ULTRAVIOLET RADIATION; IRRADIATION",
2412 URL = "http://link.aip.org/link/?JAP/74/4438/1",
2413 doi = "10.1063/1.354385",
2414 notes = "mbe and md of sic growth on si, 4 to 5 shrinkage
2419 title = "Strain relaxation and thermal stability of the
2420 3{C}-Si{C}(001)/Si(001) interface: {A} molecular
2422 journal = "Thin Solid Films",
2429 doi = "DOI: 10.1016/S0040-6090(96)09257-7",
2430 URL = "http://www.sciencedirect.com/science/article/B6TW0-41WBB52-C/2/6ef684a04d02dd3b108f972377cde8f4",
2431 author = "V. Chirita and L. Hultman and L. R. Wallenberg",
2432 keywords = "Strain relaxation",
2433 keywords = "Interfaces",
2434 keywords = "Thermal stability",
2435 keywords = "Molecular dynamics",
2436 notes = "tersoff sic/si interface study",
2440 title = "Ab initio Study of Misfit Dislocations at the
2441 $Si{C}/Si(001)$ Interface",
2442 author = "Giancarlo Cicero and Laurent Pizzagalli and Alessandra
2444 journal = "Phys. Rev. Lett.",
2451 doi = "10.1103/PhysRevLett.89.156101",
2452 publisher = "American Physical Society",
2453 notes = "sic/si interface study",
2456 @Article{pizzagalli03,
2457 title = "Theoretical investigations of a highly mismatched
2458 interface: Si{C}/Si(001)",
2459 author = "Laurent Pizzagalli and Giancarlo Cicero and Alessandra
2461 journal = "Phys. Rev. B",
2468 doi = "10.1103/PhysRevB.68.195302",
2469 publisher = "American Physical Society",
2470 notes = "tersoff md and ab initio sic/si interface study",
2474 title = "Atomic configurations of dislocation core and twin
2475 boundaries in $ 3{C}-Si{C} $ studied by high-resolution
2476 electron microscopy",
2477 author = "C. Y. Tang and F. H. Li and R. Wang and J. Zou and X.
2478 H. Zheng and J. W. Liang",
2479 journal = "Phys. Rev. B",
2486 doi = "10.1103/PhysRevB.75.184103",
2487 publisher = "American Physical Society",
2488 notes = "hrem image deconvolution on 3c-sic on si, distinguish
2492 @Article{hornstra58,
2493 title = "Dislocations in the diamond lattice",
2494 journal = "Journal of Physics and Chemistry of Solids",
2501 doi = "DOI: 10.1016/0022-3697(58)90138-0",
2502 URL = "http://www.sciencedirect.com/science/article/B6TXR-46MMPHJ-10D/2/7176c01c29cd4e73faa26ab2aacdcea5",
2503 author = "J. Hornstra",
2504 notes = "dislocations in diamond lattice",
2508 title = "Synthesis of $\beta$-Si{C} Layer in Silicon by Carbon
2509 Ion `Hot' Implantation",
2510 author = "Masahiro Deguchi and Makoto Kitabatake and Takashi
2511 Hirao and Naoki Arai and Tomio Izumi",
2512 journal = "Japanese Journal of Applied Physics",
2514 number = "Part 1, No. 2A",
2518 URL = "http://jjap.ipap.jp/link?JJAP/31/343/",
2519 doi = "10.1143/JJAP.31.343",
2520 publisher = "The Japan Society of Applied Physics",
2521 notes = "c-c bonds in c implanted si, hot implantation
2522 efficiency, c-c hard to break by thermal annealing",
2525 @Article{eichhorn99,
2526 author = "F. Eichhorn and N. Schell and W. Matz and R.
2529 title = "Strain and Si{C} particle formation in silicon
2530 implanted with carbon ions of medium fluence studied by
2531 synchrotron x-ray diffraction",
2534 journal = "J. Appl. Phys.",
2537 pages = "4184--4187",
2538 keywords = "silicon; carbon; elemental semiconductors; chemical
2539 interdiffusion; ion implantation; X-ray diffraction;
2540 precipitation; semiconductor doping",
2541 URL = "http://link.aip.org/link/?JAP/86/4184/1",
2542 doi = "10.1063/1.371344",
2543 notes = "sic conversion by ibs, detected substitutional carbon,
2544 expansion of si lattice",
2547 @Article{eichhorn02,
2548 author = "F. Eichhorn and N. Schell and A. M{\"{u}}cklich and H.
2549 Metzger and W. Matz and R. K{\"{o}}gler",
2551 title = "Structural relation between Si and Si{C} formed by
2552 carbon ion implantation",
2555 journal = "J. Appl. Phys.",
2558 pages = "1287--1292",
2559 keywords = "silicon compounds; wide band gap semiconductors; ion
2560 implantation; annealing; X-ray scattering; transmission
2561 electron microscopy",
2562 URL = "http://link.aip.org/link/?JAP/91/1287/1",
2563 doi = "10.1063/1.1428105",
2564 notes = "3c-sic alignement to si host in ibs depending on
2565 temperature, might explain c into c sub trafo",
2569 author = "G Lucas and M Bertolus and L Pizzagalli",
2570 title = "An environment-dependent interatomic potential for
2571 silicon carbide: calculation of bulk properties,
2572 high-pressure phases, point and extended defects, and
2573 amorphous structures",
2574 journal = "J. Phys.: Condens. Matter",
2578 URL = "http://stacks.iop.org/0953-8984/22/i=3/a=035802",
2584 author = "J Godet and L Pizzagalli and S Brochard and P
2586 title = "Comparison between classical potentials and ab initio
2587 methods for silicon under large shear",
2588 journal = "J. Phys.: Condens. Matter",
2592 URL = "http://stacks.iop.org/0953-8984/15/i=41/a=004",
2594 notes = "comparison of empirical potentials, stillinger weber,
2595 edip, tersoff, ab initio",
2598 @Article{moriguchi98,
2599 title = "Verification of Tersoff's Potential for Static
2600 Structural Analysis of Solids of Group-{IV} Elements",
2601 author = "Koji Moriguchi and Akira Shintani",
2602 journal = "Japanese J. Appl. Phys.",
2604 number = "Part 1, No. 2",
2608 URL = "http://jjap.ipap.jp/link?JJAP/37/414/",
2609 doi = "10.1143/JJAP.37.414",
2610 publisher = "The Japan Society of Applied Physics",
2611 notes = "tersoff stringent test",
2614 @Article{mazzarolo01,
2615 title = "Low-energy recoils in crystalline silicon: Quantum
2617 author = "Massimiliano Mazzarolo and Luciano Colombo and Giorgio
2618 Lulli and Eros Albertazzi",
2619 journal = "Phys. Rev. B",
2626 doi = "10.1103/PhysRevB.63.195207",
2627 publisher = "American Physical Society",
2630 @Article{holmstroem08,
2631 title = "Threshold defect production in silicon determined by
2632 density functional theory molecular dynamics
2634 author = "E. Holmstr{\"o}m and A. Kuronen and K. Nordlund",
2635 journal = "Phys. Rev. B",
2642 doi = "10.1103/PhysRevB.78.045202",
2643 publisher = "American Physical Society",
2644 notes = "threshold displacement comparison empirical and ab
2648 @Article{nordlund97,
2649 title = "Repulsive interatomic potentials calculated using
2650 Hartree-Fock and density-functional theory methods",
2651 journal = "Nucl. Instrum. Methods Phys. Res. B",
2658 doi = "DOI: 10.1016/S0168-583X(97)00447-3",
2659 URL = "http://www.sciencedirect.com/science/article/B6TJN-4CP0TGF-91/2/1a9100c0aae82d2d258fc83dfdba23c1",
2660 author = "K. Nordlund and N. Runeberg and D. Sundholm",
2661 notes = "repulsive ab initio potential",
2665 title = "Efficiency of ab-initio total energy calculations for
2666 metals and semiconductors using a plane-wave basis
2668 journal = "Comput. Mater. Sci.",
2675 doi = "DOI: 10.1016/0927-0256(96)00008-0",
2676 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74",
2677 author = "G. Kresse and J. Furthm{\"{u}}ller",
2682 title = "Projector augmented-wave method",
2683 author = "P. E. Bl{\"o}chl",
2684 journal = "Phys. Rev. B",
2687 pages = "17953--17979",
2691 doi = "10.1103/PhysRevB.50.17953",
2692 publisher = "American Physical Society",
2693 notes = "paw method",
2697 title = "Norm-Conserving Pseudopotentials",
2698 author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
2699 journal = "Phys. Rev. Lett.",
2702 pages = "1494--1497",
2706 doi = "10.1103/PhysRevLett.43.1494",
2707 publisher = "American Physical Society",
2708 notes = "norm-conserving pseudopotentials",
2711 @Article{vanderbilt90,
2712 title = "Soft self-consistent pseudopotentials in a generalized
2713 eigenvalue formalism",
2714 author = "David Vanderbilt",
2715 journal = "Phys. Rev. B",
2718 pages = "7892--7895",
2722 doi = "10.1103/PhysRevB.41.7892",
2723 publisher = "American Physical Society",
2724 notes = "vasp pseudopotentials",
2728 title = "Accurate and simple density functional for the
2729 electronic exchange energy: Generalized gradient
2731 author = "John P. Perdew and Yue Wang",
2732 journal = "Phys. Rev. B",
2735 pages = "8800--8802",
2739 doi = "10.1103/PhysRevB.33.8800",
2740 publisher = "American Physical Society",
2741 notes = "rapid communication gga",
2745 title = "Generalized gradient approximations for exchange and
2746 correlation: {A} look backward and forward",
2747 journal = "Physica B: Condensed Matter",
2754 doi = "DOI: 10.1016/0921-4526(91)90409-8",
2755 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8GR9-3D/2/18e610a616e4d80b934079c89063ece7",
2756 author = "John P. Perdew",
2757 notes = "gga overview",
2761 title = "Atoms, molecules, solids, and surfaces: Applications
2762 of the generalized gradient approximation for exchange
2764 author = "John P. Perdew and J. A. Chevary and S. H. Vosko and
2765 Koblar A. Jackson and Mark R. Pederson and D. J. Singh
2766 and Carlos Fiolhais",
2767 journal = "Phys. Rev. B",
2770 pages = "6671--6687",
2774 doi = "10.1103/PhysRevB.46.6671",
2775 publisher = "American Physical Society",
2776 notes = "gga pw91 (as in vasp)",
2779 @Article{baldereschi73,
2780 title = "Mean-Value Point in the Brillouin Zone",
2781 author = "A. Baldereschi",
2782 journal = "Phys. Rev. B",
2785 pages = "5212--5215",
2789 doi = "10.1103/PhysRevB.7.5212",
2790 publisher = "American Physical Society",
2791 notes = "mean value k point",
2795 title = "Ab initio pseudopotential calculations of dopant
2797 journal = "Comput. Mater. Sci.",
2804 doi = "DOI: 10.1016/S0927-0256(98)00023-8",
2805 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VB7F2K-7/2/aa864582273be8e054300efb7bd16a1b",
2806 author = "Jing Zhu",
2807 keywords = "TED (transient enhanced diffusion)",
2808 keywords = "Boron dopant",
2809 keywords = "Carbon dopant",
2810 keywords = "Defect",
2811 keywords = "ab initio pseudopotential method",
2812 keywords = "Impurity cluster",
2813 notes = "binding of c to si interstitial, c in si defects",
2817 author = "A. Nejim and P. L. F. Hemment and J. Stoemenos",
2819 title = "Si{C} buried layer formation by ion beam synthesis at
2823 journal = "Appl. Phys. Lett.",
2826 pages = "2646--2648",
2827 keywords = "SILICON; ION IMPLANTATION; CARBON IONS; SILICON
2828 CARBIDES; BURIED LAYERS; SYNTHESIS; KEV RANGE 100 --
2829 1000; CRYSTAL DEFECTS; MORPHOLOGY; RBS; TRANSMISSION
2830 ELECTRON MICROSCOPY",
2831 URL = "http://link.aip.org/link/?APL/66/2646/1",
2832 doi = "10.1063/1.113112",
2833 notes = "precipitation mechanism by substitutional carbon, si
2834 self interstitials react with further implanted c",
2838 author = "C. Guedj and M. W. Dashiell and L. Kulik and J.
2839 Kolodzey and A. Hairie",
2841 title = "Precipitation of beta-Si{C} in Si[sub 1 - y]{C}[sub y]
2845 journal = "J. Appl. Phys.",
2848 pages = "4631--4633",
2849 keywords = "silicon compounds; precipitation; localised modes;
2850 semiconductor epitaxial layers; infrared spectra;
2851 Fourier transform spectra; thermal stability;
2853 URL = "http://link.aip.org/link/?JAP/84/4631/1",
2854 doi = "10.1063/1.368703",
2855 notes = "coherent 3C-SiC, topotactic, critical coherence size",
2859 author = "R Jones and B J Coomer and P R Briddon",
2860 title = "Quantum mechanical modelling of defects in
2862 journal = "J. Phys.: Condens. Matter",
2866 URL = "http://stacks.iop.org/0953-8984/16/i=27/a=004",
2868 notes = "ab inito init, vibrational modes, c defect in si",
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2873 T Soares and Y.-W. Kim and H. Kim and P. Desjardins and
2874 J. E. Greene and S. G. Bishop",
2876 title = "Carbon incorporation pathways and lattice sites in
2877 Si[sub 1 - y]{C}[sub y] alloys grown on Si(001) by
2878 molecular-beam epitaxy",
2881 journal = "J. Appl. Phys.",
2884 pages = "5716--5727",
2885 URL = "http://link.aip.org/link/?JAP/91/5716/1",
2886 doi = "10.1063/1.1465122",
2887 notes = "c substitutional incorporation pathway, dft and expt",
2891 title = "Dynamic properties of interstitial carbon and
2892 carbon-carbon pair defects in silicon",
2893 author = "P. Leary and R. Jones and S. {\"O}berg and V. J. B.
2895 journal = "Phys. Rev. B",
2898 pages = "2188--2194",
2902 doi = "10.1103/PhysRevB.55.2188",
2903 publisher = "American Physical Society",
2904 notes = "ab initio c in si and di-carbon defect, no formation
2905 energies, different migration barriers and paths",
2909 title = "Interstitial carbon and the carbon-carbon pair in
2910 silicon: Semiempirical electronic-structure
2912 author = "Matthew J. Burnard and Gary G. DeLeo",
2913 journal = "Phys. Rev. B",
2916 pages = "10217--10225",
2920 doi = "10.1103/PhysRevB.47.10217",
2921 publisher = "American Physical Society",
2922 notes = "semi empirical mndo, pm3 and mindo3 c in si and di
2923 carbon defect, formation energies",
2927 title = "Electronic structure of interstitial carbon in
2929 author = "Morgan Besson and Gary G. DeLeo",
2930 journal = "Phys. Rev. B",
2933 pages = "4028--4033",
2937 doi = "10.1103/PhysRevB.43.4028",
2938 publisher = "American Physical Society",
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2943 and growth on semiconductors",
2944 journal = "Comput. Mater. Sci.",
2949 note = "Proceedings of the Workshop on Virtual Molecular Beam
2952 doi = "DOI: 10.1016/0927-0256(96)00030-4",
2953 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VSFF1G-7/2/afc8408b00ded1ca2dc3ad1686c2dae6",
2954 author = "Efthimios Kaxiras",
2955 notes = "might contain c 100 db formation energy, overview md,
2956 tight binding, first principles",
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2960 title = "Effect of {N} and {B} doping on the growth of {CVD}
2962 $(100):{H}(2\ifmmode\times\else\texttimes\fi{}1)$
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2975 publisher = "American Physical Society",
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2984 I. G. Ivanov and F. H. C. Carlsson and E. Janz\'en and
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2993 doi = "10.1103/PhysRevB.67.155203",
2994 publisher = "American Physical Society",
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3003 pages = "1803--1808",
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3008 URL = "http://www.sciencedirect.com/science/article/B6TXN-43G486N-47/2/56905f48f025ab98e5de4d6cde09c62b",
3009 author = "J. Chen and P. Jung and H. Klein",
3013 title = "Accumulation, dynamic annealing and thermal recovery
3014 of ion-beam-induced disorder in silicon carbide",
3015 journal = "Nucl. Instrum. Methods Phys. Res. B",
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3024 author = "W. J. Weber and W. Jiang and S. Thevuthasan",
3027 @Article{bockstedte03,
3028 title = "Ab initio study of the migration of intrinsic defects
3030 author = "Michel Bockstedte and Alexander Mattausch and Oleg
3032 journal = "Phys. Rev. B",
3039 doi = "10.1103/PhysRevB.68.205201",
3040 publisher = "American Physical Society",
3041 notes = "defect migration in sic",
3045 title = "Theoretical study of vacancy diffusion and
3046 vacancy-assisted clustering of antisites in Si{C}",
3047 author = "E. Rauls and Th. Frauenheim and A. Gali and P.
3049 journal = "Phys. Rev. B",
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3057 publisher = "American Physical Society",
3061 journal = "Telegrafiya i Telefoniya bez Provodov",
3065 author = "O. V. Lossev",
3069 title = "Luminous carborundum detector and detection effect and
3070 oscillations with crystals",
3071 journal = "Philosophical Magazine Series 7",
3074 pages = "1024--1044",
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3081 journal = "Physik. Zeitschr.",
3085 author = "O. V. Lossev",
3089 journal = "Physik. Zeitschr.",
3093 author = "O. V. Lossev",
3097 journal = "Physik. Zeitschr.",
3101 author = "O. V. Lossev",
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3106 journal = "Electrical World",
3110 author = "H. J. Round",