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 = "Philosophical Magazine Part 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 = "Applied Physics A: Materials Science \& Processing",
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 = "The Journal of Chemical Physics",
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 = "Modelling and Simulation in Materials Science and
243 URL = "http://stacks.iop.org/0965-0393/3/615",
244 notes = "comparison of tersoff, pearson and eam for defect
245 energetics in sic; (m)eam parameters for sic",
250 title = "Relationship between the embedded-atom method and
252 author = "Donald W. Brenner",
253 journal = "Phys. Rev. Lett.",
260 doi = "10.1103/PhysRevLett.63.1022",
261 publisher = "American Physical Society",
262 notes = "relation of tersoff and eam potential",
266 title = "Molecular-dynamics study of self-interstitials in
268 author = "Inder P. Batra and Farid F. Abraham and S. Ciraci",
269 journal = "Phys. Rev. B",
272 pages = "9552--9558",
276 doi = "10.1103/PhysRevB.35.9552",
277 publisher = "American Physical Society",
278 notes = "selft-interstitials in silicon, stillinger-weber,
279 calculation of defect formation energy, defect
284 title = "Extended interstitials in silicon and germanium",
285 author = "H. R. Schober",
286 journal = "Phys. Rev. B",
289 pages = "13013--13015",
293 doi = "10.1103/PhysRevB.39.13013",
294 publisher = "American Physical Society",
295 notes = "stillinger-weber silicon 110 stable and metastable
296 dumbbell configuration",
300 title = "Cascade overlap and amorphization in $3{C}-Si{C}:$
301 Defect accumulation, topological features, and
303 author = "F. Gao and W. J. Weber",
304 journal = "Phys. Rev. B",
311 doi = "10.1103/PhysRevB.66.024106",
312 publisher = "American Physical Society",
313 notes = "sic intro, si cascade in 3c-sic, amorphization,
314 tersoff modified, pair correlation of amorphous sic, md
318 @Article{devanathan98,
319 title = "Computer simulation of a 10 ke{V} Si displacement
321 journal = "Nuclear Instruments and Methods in Physics Research
322 Section B: Beam Interactions with Materials and Atoms",
328 doi = "DOI: 10.1016/S0168-583X(98)00084-6",
329 author = "R. Devanathan and W. J. Weber and T. Diaz de la
331 notes = "modified tersoff short range potential, ab initio
335 @Article{devanathan98_2,
336 title = "Displacement threshold energies in [beta]-Si{C}",
337 journal = "Journal of Nuclear Materials",
343 doi = "DOI: 10.1016/S0022-3115(97)00304-8",
344 author = "R. Devanathan and T. Diaz de la Rubia and W. J.
346 notes = "modified tersoff, ab initio, combined ab initio
350 @Article{kitabatake00,
351 title = "Si{C}/Si heteroepitaxial growth",
352 author = "M. Kitabatake",
353 journal = "Thin Solid Films",
358 notes = "md simulation, sic si heteroepitaxy, mbe",
362 title = "Intrinsic point defects in crystalline silicon:
363 Tight-binding molecular dynamics studies of
364 self-diffusion, interstitial-vacancy recombination, and
366 author = "M. Tang and L. Colombo and J. Zhu and T. Diaz de la
368 journal = "Phys. Rev. B",
371 pages = "14279--14289",
375 doi = "10.1103/PhysRevB.55.14279",
376 publisher = "American Physical Society",
377 notes = "si self interstitial, diffusion, tbmd",
381 author = "M. D. Johnson and M.-J. Caturla and T. D\'{\i}az de la
384 title = "A kinetic Monte--Carlo study of the effective
385 diffusivity of the silicon self-interstitial in the
386 presence of carbon and boron",
389 journal = "Journal of Applied Physics",
392 pages = "1963--1967",
393 keywords = "MONTE CARLO METHOD; DIFFUSION; SILICON; INTERSTITIALS;
394 CARBON ADDITIONS; BORON ADDITIONS; elemental
395 semiconductors; self-diffusion",
396 URL = "http://link.aip.org/link/?JAP/84/1963/1",
397 doi = "10.1063/1.368328",
398 notes = "kinetic monte carlo of si self interstitial
403 title = "Barrier to Migration of the Silicon
405 author = "Y. Bar-Yam and J. D. Joannopoulos",
406 journal = "Phys. Rev. Lett.",
409 pages = "1129--1132",
413 doi = "10.1103/PhysRevLett.52.1129",
414 publisher = "American Physical Society",
415 notes = "si self-interstitial migration barrier",
418 @Article{bar-yam84_2,
419 title = "Electronic structure and total-energy migration
420 barriers of silicon self-interstitials",
421 author = "Y. Bar-Yam and J. D. Joannopoulos",
422 journal = "Phys. Rev. B",
425 pages = "1844--1852",
429 doi = "10.1103/PhysRevB.30.1844",
430 publisher = "American Physical Society",
434 title = "First-principles calculations of self-diffusion
435 constants in silicon",
436 author = "Peter E. Bl{\"o}chl and Enrico Smargiassi and R. Car
437 and D. B. Laks and W. Andreoni and S. T. Pantelides",
438 journal = "Phys. Rev. Lett.",
441 pages = "2435--2438",
445 doi = "10.1103/PhysRevLett.70.2435",
446 publisher = "American Physical Society",
447 notes = "si self int diffusion by ab initio md, formation
448 entropy calculations",
452 title = "Tight-binding theory of native point defects in
454 author = "L. Colombo",
455 journal = "Annu. Rev. Mater. Res.",
460 doi = "10.1146/annurev.matsci.32.111601.103036",
461 publisher = "Annual Reviews",
462 notes = "si self interstitial, tbmd, virial stress",
465 @Article{al-mushadani03,
466 title = "Free-energy calculations of intrinsic point defects in
468 author = "O. K. Al-Mushadani and R. J. Needs",
469 journal = "Phys. Rev. B",
476 doi = "10.1103/PhysRevB.68.235205",
477 publisher = "American Physical Society",
478 notes = "formation energies of intrinisc point defects in
479 silicon, si self interstitials, free energy",
482 @Article{goedecker02,
483 title = "A Fourfold Coordinated Point Defect in Silicon",
484 author = "Stefan Goedecker and Thierry Deutsch and Luc Billard",
485 journal = "Phys. Rev. Lett.",
492 doi = "10.1103/PhysRevLett.88.235501",
493 publisher = "American Physical Society",
494 notes = "first time ffcd, fourfold coordinated point defect in
499 title = "Ab initio calculations of the interaction between
500 native point defects in silicon",
501 journal = "Materials Science and Engineering: B",
506 note = "EMRS 2005, Symposium D - Materials Science and Device
507 Issues for Future Technologies",
509 doi = "DOI: 10.1016/j.mseb.2005.08.072",
510 URL = "http://www.sciencedirect.com/science/article/B6TXF-4H6PKRB-3/2/e217bd3d7ee1fffee899eeb4a2f133a4",
511 author = "G. Hobler and G. Kresse",
512 notes = "vasp intrinsic si defect interaction study, capture
517 title = "Ab initio study of self-diffusion in silicon over a
518 wide temperature range: Point defect states and
519 migration mechanisms",
520 author = "Shangyi Ma and Shaoqing Wang",
521 journal = "Phys. Rev. B",
528 doi = "10.1103/PhysRevB.81.193203",
529 publisher = "American Physical Society",
530 notes = "si self interstitial diffusion + refs",
534 title = "Atomistic simulations on the thermal stability of the
535 antisite pair in 3{C}- and 4{H}-Si{C}",
536 author = "M. Posselt and F. Gao and W. J. Weber",
537 journal = "Phys. Rev. B",
544 doi = "10.1103/PhysRevB.73.125206",
545 publisher = "American Physical Society",
549 title = "Correlation between self-diffusion in Si and the
550 migration mechanisms of vacancies and
551 self-interstitials: An atomistic study",
552 author = "M. Posselt and F. Gao and H. Bracht",
553 journal = "Phys. Rev. B",
560 doi = "10.1103/PhysRevB.78.035208",
561 publisher = "American Physical Society",
562 notes = "si self-interstitial and vacancy diffusion, stillinger
567 title = "Ab initio and empirical-potential studies of defect
568 properties in $3{C}-Si{C}$",
569 author = "F. Gao and E. J. Bylaska and W. J. Weber and L. R.
571 journal = "Phys. Rev. B",
578 doi = "10.1103/PhysRevB.64.245208",
579 publisher = "American Physical Society",
580 notes = "defects in 3c-sic",
584 title = "Empirical potential approach for defect properties in
586 journal = "Nuclear Instruments and Methods in Physics Research
587 Section B: Beam Interactions with Materials and Atoms",
594 doi = "DOI: 10.1016/S0168-583X(02)00600-6",
595 URL = "http://www.sciencedirect.com/science/article/B6TJN-453NR6B-G/2/e65b0730e94e13d66f72a2147b449ea7",
596 author = "Fei Gao and William J. Weber",
597 keywords = "Empirical potential",
598 keywords = "Defect properties",
599 keywords = "Silicon carbide",
600 keywords = "Computer simulation",
601 notes = "sic potential, brenner type, like erhart/albe",
605 title = "Atomistic study of intrinsic defect migration in
607 author = "Fei Gao and William J. Weber and M. Posselt and V.
609 journal = "Phys. Rev. B",
616 doi = "10.1103/PhysRevB.69.245205",
617 publisher = "American Physical Society",
618 notes = "defect migration in sic",
622 author = "F. Gao and J. Du and E. J. Bylaska and M. Posselt and
625 title = "Ab Initio atomic simulations of antisite pair recovery
626 in cubic silicon carbide",
629 journal = "Applied Physics Letters",
635 keywords = "ab initio calculations; silicon compounds; antisite
636 defects; wide band gap semiconductors; molecular
637 dynamics method; density functional theory;
638 electron-hole recombination; photoluminescence;
639 impurities; diffusion",
640 URL = "http://link.aip.org/link/?APL/90/221915/1",
641 doi = "10.1063/1.2743751",
644 @Article{mattoni2002,
645 title = "Self-interstitial trapping by carbon complexes in
646 crystalline silicon",
647 author = "A. Mattoni and F. Bernardini and L. Colombo",
648 journal = "Phys. Rev. B",
655 doi = "10.1103/PhysRevB.66.195214",
656 publisher = "American Physical Society",
657 notes = "c in c-si, diffusion, interstitial configuration +
658 links, interaction of carbon and silicon interstitials,
659 tersoff suitability",
663 title = "Calculations of Silicon Self-Interstitial Defects",
664 author = "W.-K. Leung and R. J. Needs and G. Rajagopal and S.
666 journal = "Phys. Rev. Lett.",
669 pages = "2351--2354",
673 doi = "10.1103/PhysRevLett.83.2351",
674 publisher = "American Physical Society",
675 notes = "nice images of the defects, si defect overview +
680 title = "Identification of the migration path of interstitial
682 author = "R. B. Capaz and A. {Dal Pino} and J. D. Joannopoulos",
683 journal = "Phys. Rev. B",
686 pages = "7439--7442",
690 doi = "10.1103/PhysRevB.50.7439",
691 publisher = "American Physical Society",
692 notes = "carbon interstitial migration path shown, 001 c-si
697 title = "Theory of carbon-carbon pairs in silicon",
698 author = "R. B. Capaz and A. {Dal Pino} and J. D. Joannopoulos",
699 journal = "Phys. Rev. B",
702 pages = "9845--9850",
706 doi = "10.1103/PhysRevB.58.9845",
707 publisher = "American Physical Society",
708 notes = "carbon pairs in si",
712 author = "Chun-Li Liu and Wolfgang Windl and Len Borucki and
713 Shifeng Lu and Xiang-Yang Liu",
715 title = "Ab initio modeling and experimental study of {C}--{B}
719 journal = "Applied Physics Letters",
723 keywords = "silicon; boron; carbon; elemental semiconductors;
724 impurity-defect interactions; ab initio calculations;
725 secondary ion mass spectra; diffusion; interstitials",
726 URL = "http://link.aip.org/link/?APL/80/52/1",
727 doi = "10.1063/1.1430505",
728 notes = "c-c 100 split, lower as a and b states of capaz",
732 title = "Ab initio investigation of carbon-related defects in
734 author = "A. {Dal Pino} and Andrew M. Rappe and J. D.
736 journal = "Phys. Rev. B",
739 pages = "12554--12557",
743 doi = "10.1103/PhysRevB.47.12554",
744 publisher = "American Physical Society",
745 notes = "c interstitials in crystalline silicon",
749 title = "Microscopic Theory of Atomic Diffusion Mechanisms in
751 author = "Roberto Car and Paul J. Kelly and Atsushi Oshiyama and
752 Sokrates T. Pantelides",
753 journal = "Phys. Rev. Lett.",
756 pages = "1814--1817",
760 doi = "10.1103/PhysRevLett.52.1814",
761 publisher = "American Physical Society",
762 notes = "microscopic theory diffusion silicon dft migration
767 title = "Unified Approach for Molecular Dynamics and
768 Density-Functional Theory",
769 author = "R. Car and M. Parrinello",
770 journal = "Phys. Rev. Lett.",
773 pages = "2471--2474",
777 doi = "10.1103/PhysRevLett.55.2471",
778 publisher = "American Physical Society",
779 notes = "car parrinello method, dft and md",
783 title = "Short-range order, bulk moduli, and physical trends in
784 c-$Si1-x$$Cx$ alloys",
785 author = "P. C. Kelires",
786 journal = "Phys. Rev. B",
789 pages = "8784--8787",
793 doi = "10.1103/PhysRevB.55.8784",
794 publisher = "American Physical Society",
795 notes = "c strained si, montecarlo md, bulk moduli, next
800 title = "Monte Carlo Studies of Ternary Semiconductor Alloys:
801 Application to the $Si1-x-yGexCy$ System",
802 author = "P. C. Kelires",
803 journal = "Phys. Rev. Lett.",
806 pages = "1114--1117",
810 doi = "10.1103/PhysRevLett.75.1114",
811 publisher = "American Physical Society",
812 notes = "mc md, strain compensation in si ge by c insertion",
816 title = "Low temperature electron irradiation of silicon
818 journal = "Solid State Communications",
825 doi = "DOI: 10.1016/0038-1098(70)90074-8",
826 URL = "http://www.sciencedirect.com/science/article/B6TVW-46MF8S4-156/2/5f4d9c189a3d97227fde9214195aa081",
827 author = "A. R. Bean and R. C. Newman",
831 title = "{EPR} Observation of the Isolated Interstitial Carbon
833 author = "G. D. Watkins and K. L. Brower",
834 journal = "Phys. Rev. Lett.",
837 pages = "1329--1332",
841 doi = "10.1103/PhysRevLett.36.1329",
842 publisher = "American Physical Society",
843 notes = "epr observations of 100 interstitial carbon atom in
848 title = "{EPR} identification of the single-acceptor state of
849 interstitial carbon in silicon",
850 author = "L. W. Song and G. D. Watkins",
851 journal = "Phys. Rev. B",
854 pages = "5759--5764",
858 doi = "10.1103/PhysRevB.42.5759",
859 publisher = "American Physical Society",
860 notes = "carbon diffusion in silicon",
864 author = "A K Tipping and R C Newman",
865 title = "The diffusion coefficient of interstitial carbon in
867 journal = "Semiconductor Science and Technology",
871 URL = "http://stacks.iop.org/0268-1242/2/315",
873 notes = "diffusion coefficient of carbon interstitials in
878 title = "Carbon incorporation into Si at high concentrations by
879 ion implantation and solid phase epitaxy",
880 author = "J. W. Strane and S. R. Lee and H. J. Stein and S. T.
881 Picraux and J. K. Watanabe and J. W. Mayer",
882 journal = "J. Appl. Phys.",
887 doi = "10.1063/1.360806",
888 notes = "strained silicon, carbon supersaturation",
891 @Article{laveant2002,
892 title = "Epitaxy of carbon-rich silicon with {MBE}",
893 journal = "Materials Science and Engineering B",
899 doi = "DOI: 10.1016/S0921-5107(01)00794-2",
900 URL = "http://www.sciencedirect.com/science/article/B6TXF-44YVPGS-1V/2/024ece074ad18ebbec62a39a2510a268",
901 author = "P. Lav\'eant and G. Gerth and P. Werner and U.
903 notes = "low c in si, tensile stress to compensate compressive
904 stress, avoid sic precipitation",
908 author = "P. Werner and S. Eichler and G. Mariani and R.
909 K{\"{o}}gler and W. Skorupa",
910 title = "Investigation of {C}[sub x]Si defects in {C} implanted
911 silicon by transmission electron microscopy",
914 journal = "Applied Physics Letters",
918 keywords = "silicon; ion implantation; carbon; crystal defects;
919 transmission electron microscopy; annealing; positron
920 annihilation; secondary ion mass spectroscopy; buried
921 layers; precipitation",
922 URL = "http://link.aip.org/link/?APL/70/252/1",
923 doi = "10.1063/1.118381",
924 notes = "si-c complexes, agglomerate, sic in si matrix, sic
928 @InProceedings{werner96,
929 author = "P. Werner and R. K{\"{o}}gler and W. Skorupa and D.
931 booktitle = "Ion Implantation Technology. Proceedings of the 11th
932 International Conference on",
933 title = "{TEM} investigation of {C}-Si defects in carbon
940 doi = "10.1109/IIT.1996.586497",
942 notes = "c-si agglomerates dumbbells",
946 author = "P. Werner and U. G{\"{o}}sele and H.-J. Gossmann and
949 title = "Carbon diffusion in silicon",
952 journal = "Applied Physics Letters",
955 pages = "2465--2467",
956 keywords = "silicon; carbon; elemental semiconductors; diffusion;
957 secondary ion mass spectra; semiconductor epitaxial
958 layers; annealing; impurity-defect interactions;
959 impurity distribution",
960 URL = "http://link.aip.org/link/?APL/73/2465/1",
961 doi = "10.1063/1.122483",
962 notes = "c diffusion in si, kick out mechnism",
966 author = "J. W. Strane and H. J. Stein and S. R. Lee and S. T.
967 Picraux and J. K. Watanabe and J. W. Mayer",
969 title = "Precipitation and relaxation in strained Si[sub 1 -
970 y]{C}[sub y]/Si heterostructures",
973 journal = "Journal of Applied Physics",
976 pages = "3656--3668",
977 keywords = "SILICON CARBIDES; SILICON; PRECIPITATION; STRAINS",
978 URL = "http://link.aip.org/link/?JAP/76/3656/1",
979 doi = "10.1063/1.357429",
980 notes = "strained si-c to 3c-sic, carbon nucleation + refs,
981 precipitation by substitutional carbon, coherent prec,
982 coherent to incoherent transition strain vs interface
987 author = "G. G. Fischer and P. Zaumseil and E. Bugiel and H. J.
990 title = "Investigation of the high temperature behavior of
991 strained Si[sub 1 - y]{C}[sub y] /Si heterostructures",
994 journal = "Journal of Applied Physics",
997 pages = "1934--1937",
998 keywords = "SILICON CARBIDES; SILICON; HETEROSTRUCTURES; STRAINS;
999 XRD; MOLECULAR BEAM EPITAXY; STABILITY; TENSILE
1000 PROPERTIES; EPITAXIAL LAYERS; ANNEALING; PRECIPITATION;
1001 TEMPERATURE RANGE 04001000 K",
1002 URL = "http://link.aip.org/link/?JAP/77/1934/1",
1003 doi = "10.1063/1.358826",
1007 title = "Prospects for device implementation of wide band gap
1009 author = "J. H. Edgar",
1010 journal = "J. Mater. Res.",
1015 doi = "10.1557/JMR.1992.0235",
1016 notes = "properties wide band gap semiconductor, sic
1020 @Article{zirkelbach2007,
1021 title = "Monte Carlo simulation study of a selforganisation
1022 process leading to ordered precipitate structures",
1023 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1025 journal = "Nucl. Instr. and Meth. B",
1032 doi = "doi:10.1016/j.nimb.2006.12.118",
1033 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
1037 @Article{zirkelbach2006,
1038 title = "Monte-Carlo simulation study of the self-organization
1039 of nanometric amorphous precipitates in regular arrays
1040 during ion irradiation",
1041 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1043 journal = "Nucl. Instr. and Meth. B",
1050 doi = "doi:10.1016/j.nimb.2005.08.162",
1051 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
1055 @Article{zirkelbach2005,
1056 title = "Modelling of a selforganization process leading to
1057 periodic arrays of nanometric amorphous precipitates by
1059 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1061 journal = "Comp. Mater. Sci.",
1068 doi = "doi:10.1016/j.commatsci.2004.12.016",
1069 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
1073 @Article{zirkelbach09,
1074 title = "Molecular dynamics simulation of defect formation and
1075 precipitation in heavily carbon doped silicon",
1076 journal = "Materials Science and Engineering: B",
1081 note = "EMRS 2008 Spring Conference Symposium K: Advanced
1082 Silicon Materials Research for Electronic and
1083 Photovoltaic Applications",
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1090 keywords = "Carbon",
1091 keywords = "Silicon carbide",
1092 keywords = "Nucleation",
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1094 keywords = "Molecular dynamics simulations",
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1112 journal = "to be published",
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1129 K. N. Lindner and W. G. Schmidtd and E. Rauls",
1133 title = "Controlling the density distribution of Si{C}
1134 nanocrystals for the ion beam synthesis of buried Si{C}
1136 journal = "Nuclear Instruments and Methods in Physics Research
1137 Section B: Beam Interactions with Materials and Atoms",
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1167 title = "Ion beam synthesis of buried Si{C} layers in silicon:
1168 Basic physical processes",
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1170 Section B: Beam Interactions with Materials and Atoms",
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1179 author = "J{\"{o}}rg K. N. Lindner",
1183 title = "High-dose carbon implantations into silicon:
1184 fundamental studies for new technological tricks",
1185 author = "J. K. N. Lindner",
1186 journal = "Appl. Phys. A",
1190 doi = "10.1007/s00339-002-2062-8",
1191 notes = "ibs, burried sic layers",
1195 title = "On the balance between ion beam induced nanoparticle
1196 formation and displacive precipitate resolution in the
1198 journal = "Materials Science and Engineering: C",
1203 note = "Current Trends in Nanoscience - from Materials to
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1217 journal = "Applied Surface Science",
1222 note = "APHYS'03 Special Issue",
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1226 author = "Y. Ito and T. Yamauchi and A. Yamamoto and M. Sasase
1227 and S. Nishio and K. Yasuda and Y. Ishigami",
1228 notes = "gan on 3c-sic",
1232 author = "B. J. Alder and T. E. Wainwright",
1233 title = "Phase Transition for a Hard Sphere System",
1236 journal = "The Journal of Chemical Physics",
1239 pages = "1208--1209",
1240 URL = "http://link.aip.org/link/?JCP/27/1208/1",
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1246 title = "Studies in Molecular Dynamics. {I}. General Method",
1249 journal = "The Journal of Chemical Physics",
1253 URL = "http://link.aip.org/link/?JCP/31/459/1",
1254 doi = "10.1063/1.1730376",
1257 @Article{tersoff_si1,
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1260 author = "J. Tersoff",
1261 journal = "Phys. Rev. Lett.",
1268 doi = "10.1103/PhysRevLett.56.632",
1269 publisher = "American Physical Society",
1272 @Article{tersoff_si2,
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1279 pages = "6991--7000",
1283 doi = "10.1103/PhysRevB.37.6991",
1284 publisher = "American Physical Society",
1287 @Article{tersoff_si3,
1288 title = "Empirical interatomic potential for silicon with
1289 improved elastic properties",
1290 author = "J. Tersoff",
1291 journal = "Phys. Rev. B",
1294 pages = "9902--9905",
1298 doi = "10.1103/PhysRevB.38.9902",
1299 publisher = "American Physical Society",
1303 title = "Empirical Interatomic Potential for Carbon, with
1304 Applications to Amorphous Carbon",
1305 author = "J. Tersoff",
1306 journal = "Phys. Rev. Lett.",
1309 pages = "2879--2882",
1313 doi = "10.1103/PhysRevLett.61.2879",
1314 publisher = "American Physical Society",
1318 title = "Modeling solid-state chemistry: Interatomic potentials
1319 for multicomponent systems",
1320 author = "J. Tersoff",
1321 journal = "Phys. Rev. B",
1324 pages = "5566--5568",
1328 doi = "10.1103/PhysRevB.39.5566",
1329 publisher = "American Physical Society",
1333 title = "Carbon defects and defect reactions in silicon",
1334 author = "J. Tersoff",
1335 journal = "Phys. Rev. Lett.",
1338 pages = "1757--1760",
1342 doi = "10.1103/PhysRevLett.64.1757",
1343 publisher = "American Physical Society",
1347 title = "Point defects and dopant diffusion in silicon",
1348 author = "P. M. Fahey and P. B. Griffin and J. D. Plummer",
1349 journal = "Rev. Mod. Phys.",
1356 doi = "10.1103/RevModPhys.61.289",
1357 publisher = "American Physical Society",
1361 title = "Silicon carbide: synthesis and processing",
1362 journal = "Nuclear Instruments and Methods in Physics Research
1363 Section B: Beam Interactions with Materials and Atoms",
1368 note = "Radiation Effects in Insulators",
1370 doi = "DOI: 10.1016/0168-583X(96)00065-1",
1371 URL = "http://www.sciencedirect.com/science/article/B6TJN-3VXHNFT-C7/2/4216cb1ec9e422c22de5fed7360fb06e",
1372 author = "W. Wesch",
1376 author = "H. Morko\c{c} and S. Strite and G. B. Gao and M. E.
1377 Lin and B. Sverdlov and M. Burns",
1379 title = "Large-band-gap Si{C}, {III}-{V} nitride, and {II}-{VI}
1380 ZnSe-based semiconductor device technologies",
1383 journal = "Journal of Applied Physics",
1386 pages = "1363--1398",
1387 keywords = "SEMICONDUCTOR DEVICES; SILICON CARBIDES; GALLIUM
1388 NITRIDES; ZINC SELENIDES; SUBSTRATES; MOS JUNCTIONS;
1389 LASER MATERIALS; MATERIALS; REVIEWS; ENERGY GAP; THIN
1391 URL = "http://link.aip.org/link/?JAP/76/1363/1",
1392 doi = "10.1063/1.358463",
1393 notes = "sic intro, properties",
1397 author = "P. G. Neudeck",
1398 title = "{PROGRESS} {IN} {SILICON}-{CARBIDE} {SEMICONDUCTOR}
1399 {ELECTRONICS} {TECHNOLOGY}",
1400 journal = "Journal of Electronic Materials",
1409 author = "Noch Unbekannt",
1410 title = "How to find references",
1411 journal = "Journal of Applied References",
1418 title = "Atomistic simulation of thermomechanical properties of
1420 author = "Meijie Tang and Sidney Yip",
1421 journal = "Phys. Rev. B",
1424 pages = "15150--15159",
1427 doi = "10.1103/PhysRevB.52.15150",
1428 notes = "modified tersoff, scale cutoff with volume, promising
1429 tersoff reparametrization",
1430 publisher = "American Physical Society",
1434 title = "Silicon carbide as a new {MEMS} technology",
1435 journal = "Sensors and Actuators A: Physical",
1441 doi = "DOI: 10.1016/S0924-4247(99)00335-0",
1442 URL = "http://www.sciencedirect.com/science/article/B6THG-406VM55-13/2/75385a587669b215d9ef88029a93fd59",
1443 author = "Pasqualina M. Sarro",
1445 keywords = "Silicon carbide",
1446 keywords = "Micromachining",
1447 keywords = "Mechanical stress",
1451 title = "Status of silicon carbide (Si{C}) as a wide-bandgap
1452 semiconductor for high-temperature applications: {A}
1454 journal = "Solid-State Electronics",
1457 pages = "1409--1422",
1460 doi = "DOI: 10.1016/0038-1101(96)00045-7",
1461 URL = "http://www.sciencedirect.com/science/article/B6TY5-3VSR9J0-1/2/a871c11636e937dc45bfdf48e29f725b",
1462 author = "J. B. Casady and R. W. Johnson",
1463 notes = "sic intro",
1466 @Article{giancarli98,
1467 title = "Design requirements for Si{C}/Si{C} composites
1468 structural material in fusion power reactor blankets",
1469 journal = "Fusion Engineering and Design",
1475 doi = "DOI: 10.1016/S0920-3796(97)00200-7",
1476 URL = "http://www.sciencedirect.com/science/article/B6V3C-3V8RYK8-T/2/16949194114900fd1330f79892d7a7be",
1477 author = "L. Giancarli and J. P. Bonal and A. Caso and G. Le
1478 Marois and N. B. Morley and J. F. Salavy",
1482 title = "Electrical and optical characterization of Si{C}",
1483 journal = "Physica B: Condensed Matter",
1489 doi = "DOI: 10.1016/0921-4526(93)90249-6",
1490 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8HRX-99/2/eab9398bf2bbf10df3ae42c2ab28a776",
1491 author = "G. Pensl and W. J. Choyke",
1495 title = "Investigation of growth processes of ingots of silicon
1496 carbide single crystals",
1497 journal = "Journal of Crystal Growth",
1502 notes = "modified lely process",
1504 doi = "DOI: 10.1016/0022-0248(78)90169-0",
1505 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BY2NR-7S/2/fa6fee78ebd8322491f6366e72d5b6dc",
1506 author = "Yu. M. Tairov and V. F. Tsvetkov",
1510 author = "Shigehiro Nishino and J. Anthony Powell and Herbert A.
1513 title = "Production of large-area single-crystal wafers of
1514 cubic Si{C} for semiconductor devices",
1517 journal = "Applied Physics Letters",
1521 keywords = "silicon carbides; layers; chemical vapor deposition;
1523 URL = "http://link.aip.org/link/?APL/42/460/1",
1524 doi = "10.1063/1.93970",
1525 notes = "cvd of 3c-sic on si, sic buffer layer",
1529 author = "Shigehiro Nishino and Hajime Suhara and Hideyuki Ono
1530 and Hiroyuki Matsunami",
1532 title = "Epitaxial growth and electric characteristics of cubic
1536 journal = "Journal of Applied Physics",
1539 pages = "4889--4893",
1540 URL = "http://link.aip.org/link/?JAP/61/4889/1",
1541 doi = "10.1063/1.338355",
1542 notes = "cvd of 3c-sic on si, sic buffer layer, first time
1547 author = "J. Anthony Powell and Lawrence G. Matus and Maria A.
1549 title = "Growth and Characterization of Cubic Si{C}
1550 Single-Crystal Films on Si",
1553 journal = "Journal of The Electrochemical Society",
1556 pages = "1558--1565",
1557 keywords = "semiconductor materials; silicon compounds; carbon
1558 compounds; crystal morphology; electron mobility",
1559 URL = "http://link.aip.org/link/?JES/134/1558/1",
1560 doi = "10.1149/1.2100708",
1561 notes = "blue light emitting diodes (led)",
1565 author = "Tsunenobu Kimoto and Hironori Nishino and Woo Sik Yoo
1566 and Hiroyuki Matsunami",
1567 title = "Growth mechanism of 6{H}-Si{C} in step-controlled
1571 journal = "Journal of Applied Physics",
1575 keywords = "SILICON CARBIDES; EPITAXY; GROWTH RATE; TEMPERATURE
1576 RANGE 10004000 K; TWINNING; ACTIVATION ENERGY; CHEMICAL
1578 URL = "http://link.aip.org/link/?JAP/73/726/1",
1579 doi = "10.1063/1.353329",
1580 notes = "cvd of 6h-sic on 6h-sic, twinned 3c-sic",
1584 author = "J. A. Powell and D. J. Larkin and L. G. Matus and W.
1585 J. Choyke and J. L. Bradshaw and L. Henderson and M.
1586 Yoganathan and J. Yang and P. Pirouz",
1588 title = "Growth of improved quality 3{C}-Si{C} films on
1589 6{H}-Si{C} substrates",
1592 journal = "Applied Physics Letters",
1595 pages = "1353--1355",
1596 keywords = "SILICON CARBIDES; CHEMICAL VAPOR DEPOSITION; SORPTIVE
1597 PROPERTIES; PHOTOLUMINESCENCE; TRANSMISSION ELECTRON
1598 MICROSCOPY; DEFECT STRUCTURE; STACKING FAULTS; VAPOR
1600 URL = "http://link.aip.org/link/?APL/56/1353/1",
1601 doi = "10.1063/1.102512",
1602 notes = "cvd of 3c-sic on 6h-sic",
1606 author = "C. Yuan and A. J. Steckl and J. Chaudhuri and R.
1607 Thokala and M. J. Loboda",
1609 title = "Reduced temperature growth of crystalline 3{C}-Si{C}
1610 films on 6{H}-Si{C} by chemical vapor deposition from
1614 journal = "Journal of Applied Physics",
1617 pages = "1271--1273",
1618 keywords = "SILICON CARBIDES; THIN FILMS; CVD; EPITAXY; ABSORPTION
1619 EDGE; CRYSTAL STRUCTURE; STRAINS; DISLOCATIONS; XRD;
1621 URL = "http://link.aip.org/link/?JAP/78/1271/1",
1622 doi = "10.1063/1.360368",
1623 notes = "3c-sic on 6h-sic, cvd, reduced temperature",
1627 title = "Epitaxial growth of Si{C} thin films on Si-stabilized
1628 [alpha]-Si{C}(0001) at low temperatures by solid-source
1629 molecular beam epitaxy",
1630 journal = "Journal of Crystal Growth",
1636 doi = "DOI: 10.1016/0022-0248(95)00170-0",
1637 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3Y5MMXM-1N/2/65549019b878bf02d5ec645b7eea9e98",
1638 author = "A. Fissel and U. Kaiser and E. Ducke and B.
1639 Schr{\"{o}}ter and W. Richter",
1640 notes = "solid source mbe of 3c-sic on si and 6h-sic",
1643 @Article{fissel95_apl,
1644 author = "A. Fissel and B. Schr{\"{o}}ter and W. Richter",
1646 title = "Low-temperature growth of Si{C} thin films on Si and
1647 6{H}--Si{C} by solid-source molecular beam epitaxy",
1650 journal = "Applied Physics Letters",
1653 pages = "3182--3184",
1654 keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
1656 URL = "http://link.aip.org/link/?APL/66/3182/1",
1657 doi = "10.1063/1.113716",
1658 notes = "mbe 3c-sic on si and 6h-sic",
1662 author = "J. A. Borders and S. T. Picraux and W. Beezhold",
1664 title = "{FORMATION} {OF} Si{C} {IN} {SILICON} {BY} {ION}
1668 journal = "Applied Physics Letters",
1672 URL = "http://link.aip.org/link/?APL/18/509/1",
1673 doi = "10.1063/1.1653516",
1674 notes = "first time sic by ibs, follow cites for precipitation
1679 author = "K. J. Reeson and P. L. F. Hemment and J. Stoemenos and
1680 J. Davis and G. E. Celler",
1682 title = "Formation of buried layers of beta-Si{C} using ion
1683 beam synthesis and incoherent lamp annealing",
1686 journal = "Applied Physics Letters",
1689 pages = "2242--2244",
1690 keywords = "SILICON CARBIDES; FILM GROWTH; SOLIDPHASE EPITAXY; ION
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1692 URL = "http://link.aip.org/link/?APL/51/2242/1",
1693 doi = "10.1063/1.98953",
1694 notes = "nice tem images, sic by ibs",
1698 author = "R. I. Scace and G. A. Slack",
1700 title = "Solubility of Carbon in Silicon and Germanium",
1703 journal = "The Journal of Chemical Physics",
1706 pages = "1551--1555",
1707 URL = "http://link.aip.org/link/?JCP/30/1551/1",
1708 doi = "10.1063/1.1730236",
1709 notes = "solubility of c in c-si, si-c phase diagram",
1713 author = "N. E. B. Cowern and A. Cacciato and J. S. Custer and
1714 F. W. Saris and W. Vandervorst",
1716 title = "Role of {C} and {B} clusters in transient diffusion of
1720 journal = "Applied Physics Letters",
1723 pages = "1150--1152",
1724 keywords = "ATOMIC CLUSTERS; BORON ADDITIONS; CRYSTAL DOPING;
1725 DIFFUSION; DOPED MATERIALS; IMPURITIES; INTERSTITIALS;
1727 URL = "http://link.aip.org/link/?APL/68/1150/1",
1728 doi = "10.1063/1.115706",
1729 notes = "suppression of transient enhanced diffusion (ted)",
1733 title = "Implantation and transient boron diffusion: the role
1734 of the silicon self-interstitial",
1735 journal = "Nuclear Instruments and Methods in Physics Research
1736 Section B: Beam Interactions with Materials and Atoms",
1741 note = "Selected Papers of the Tenth International Conference
1742 on Ion Implantation Technology (IIT '94)",
1744 doi = "DOI: 10.1016/0168-583X(94)00481-1",
1745 URL = "http://www.sciencedirect.com/science/article/B6TJN-40WKY1P-29/2/602c6e5b809221323d2d2968edd0a71c",
1746 author = "P. A. Stolk and H. -J. Gossmann and D. J. Eaglesham
1751 author = "P. A. Stolk and H.-J. Gossmann and D. J. Eaglesham and
1752 D. C. Jacobson and C. S. Rafferty and G. H. Gilmer and
1753 M. Jara\'{\i}z and J. M. Poate and H. S. Luftman and T.
1756 title = "Physical mechanisms of transient enhanced dopant
1757 diffusion in ion-implanted silicon",
1760 journal = "Journal of Applied Physics",
1763 pages = "6031--6050",
1764 URL = "http://link.aip.org/link/?JAP/81/6031/1",
1765 doi = "10.1063/1.364452",
1766 notes = "ted, transient enhanced diffusion, c silicon trap",
1770 author = "A. R. Powell and F. K. LeGoues and S. S. Iyer",
1772 title = "Formation of beta-Si{C} nanocrystals by the relaxation
1773 of Si[sub 1 - y]{C}[sub y] random alloy layers",
1776 journal = "Applied Physics Letters",
1780 keywords = "SILICON CARBIDES; NANOSTRUCTURES; DISPERSIONS;
1781 EPITAXIAL LAYERS; STRESS RELAXATION; ANNEALING;
1782 TEMPERATURE EFFECTS; PRECIPITATION; DISLOCATIONS;
1784 URL = "http://link.aip.org/link/?APL/64/324/1",
1785 doi = "10.1063/1.111195",
1786 notes = "beta sic nano crystals in si, mbe, annealing",
1790 author = "Richard A. Soref",
1792 title = "Optical band gap of the ternary semiconductor Si[sub 1
1793 - x - y]Ge[sub x]{C}[sub y]",
1796 journal = "Journal of Applied Physics",
1799 pages = "2470--2472",
1800 keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; ENERGY GAP;
1801 OPTICAL PROPERTIES; DIAMONDS; SEMICONDUCTOR ALLOYS;
1803 URL = "http://link.aip.org/link/?JAP/70/2470/1",
1804 doi = "10.1063/1.349403",
1805 notes = "band gap of strained si by c",
1809 author = "E Kasper",
1810 title = "Superlattices of group {IV} elements, a new
1811 possibility to produce direct band gap material",
1812 journal = "Physica Scripta",
1815 URL = "http://stacks.iop.org/1402-4896/T35/232",
1817 notes = "superlattices, convert indirect band gap into a
1822 author = "H. J. Osten and J. Griesche and S. Scalese",
1824 title = "Substitutional carbon incorporation in epitaxial
1825 Si[sub 1 - y]{C}[sub y] alloys on Si(001) grown by
1826 molecular beam epitaxy",
1829 journal = "Applied Physics Letters",
1833 keywords = "molecular beam epitaxial growth; semiconductor growth;
1834 wide band gap semiconductors; interstitials; silicon
1836 URL = "http://link.aip.org/link/?APL/74/836/1",
1837 doi = "10.1063/1.123384",
1838 notes = "substitutional c in si",
1841 @Article{hohenberg64,
1842 title = "Inhomogeneous Electron Gas",
1843 author = "P. Hohenberg and W. Kohn",
1844 journal = "Phys. Rev.",
1847 pages = "B864--B871",
1851 doi = "10.1103/PhysRev.136.B864",
1852 publisher = "American Physical Society",
1853 notes = "density functional theory, dft",
1857 title = "Self-Consistent Equations Including Exchange and
1858 Correlation Effects",
1859 author = "W. Kohn and L. J. Sham",
1860 journal = "Phys. Rev.",
1863 pages = "A1133--A1138",
1867 doi = "10.1103/PhysRev.140.A1133",
1868 publisher = "American Physical Society",
1869 notes = "dft, exchange and correlation",
1873 title = "Strain-stabilized highly concentrated pseudomorphic
1874 $Si1-x$$Cx$ layers in Si",
1875 author = "H. R{\"u}cker and M. Methfessel and E. Bugiel and H.
1877 journal = "Phys. Rev. Lett.",
1880 pages = "3578--3581",
1884 doi = "10.1103/PhysRevLett.72.3578",
1885 publisher = "American Physical Society",
1886 notes = "high c concentration in si, heterostructure, starined
1891 title = "Electron Transport Model for Strained Silicon-Carbon
1893 author = "Shu-Tong Chang and Chung-Yi Lin",
1894 journal = "Japanese Journal of Applied Physics",
1897 pages = "2257--2262",
1900 URL = "http://jjap.ipap.jp/link?JJAP/44/2257/",
1901 doi = "10.1143/JJAP.44.2257",
1902 publisher = "The Japan Society of Applied Physics",
1903 notes = "enhance of electron mobility in starined si",
1907 author = "H. J. Osten and P. Gaworzewski",
1909 title = "Charge transport in strained Si[sub 1 - y]{C}[sub y]
1910 and Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloys on
1914 journal = "Journal of Applied Physics",
1917 pages = "4977--4981",
1918 keywords = "silicon compounds; Ge-Si alloys; wide band gap
1919 semiconductors; semiconductor epitaxial layers; carrier
1920 density; Hall mobility; interstitials; defect states",
1921 URL = "http://link.aip.org/link/?JAP/82/4977/1",
1922 doi = "10.1063/1.366364",
1923 notes = "charge transport in strained si",
1927 title = "Carbon-mediated aggregation of self-interstitials in
1928 silicon: {A} large-scale molecular dynamics study",
1929 author = "Sumeet S. Kapur and Manish Prasad and Talid Sinno",
1930 journal = "Phys. Rev. B",
1937 doi = "10.1103/PhysRevB.69.155214",
1938 publisher = "American Physical Society",
1939 notes = "simulation using promising tersoff reparametrization",
1943 title = "Event-Based Relaxation of Continuous Disordered
1945 author = "G. T. Barkema and Normand Mousseau",
1946 journal = "Phys. Rev. Lett.",
1949 pages = "4358--4361",
1953 doi = "10.1103/PhysRevLett.77.4358",
1954 publisher = "American Physical Society",
1955 notes = "activation relaxation technique, art, speed up slow
1960 author = "E. Canc\`{e}s and F. Legoll and M.-C. Marinica and K.
1961 Minoukadeh and F. Willaime",
1963 title = "Some improvements of the activation-relaxation
1964 technique method for finding transition pathways on
1965 potential energy surfaces",
1968 journal = "The Journal of Chemical Physics",
1974 keywords = "eigenvalues and eigenfunctions; iron; potential energy
1975 surfaces; vacancies (crystal)",
1976 URL = "http://link.aip.org/link/?JCP/130/114711/1",
1977 doi = "10.1063/1.3088532",
1978 notes = "improvements to art, refs for methods to find
1979 transition pathways",
1982 @Article{parrinello81,
1983 author = "M. Parrinello and A. Rahman",
1985 title = "Polymorphic transitions in single crystals: {A} new
1986 molecular dynamics method",
1989 journal = "Journal of Applied Physics",
1992 pages = "7182--7190",
1993 keywords = "MONOCRYSTALS; PHASE TRANSFORMATIONS; STRUCTURAL
1994 MODELS; DYNAMICS; THEORETICAL DATA; STRESSES;
1995 CONFIGURATION; LAGRANGE EQUATIONS; SIZE; NICKEL;
1996 COMPRESSION; TENSILE PROPERTIES; COMPARATIVE
1997 EVALUATIONS; STRAINS; CUBIC LATTICES; HCP LATTICES;
1999 URL = "http://link.aip.org/link/?JAP/52/7182/1",
2000 doi = "10.1063/1.328693",
2003 @Article{stillinger85,
2004 title = "Computer simulation of local order in condensed phases
2006 author = "Frank H. Stillinger and Thomas A. Weber",
2007 journal = "Phys. Rev. B",
2010 pages = "5262--5271",
2014 doi = "10.1103/PhysRevB.31.5262",
2015 publisher = "American Physical Society",
2019 title = "Empirical potential for hydrocarbons for use in
2020 simulating the chemical vapor deposition of diamond
2022 author = "Donald W. Brenner",
2023 journal = "Phys. Rev. B",
2026 pages = "9458--9471",
2030 doi = "10.1103/PhysRevB.42.9458",
2031 publisher = "American Physical Society",
2032 notes = "brenner hydro carbons",
2036 title = "Modeling of Covalent Bonding in Solids by Inversion of
2037 Cohesive Energy Curves",
2038 author = "Martin Z. Bazant and Efthimios Kaxiras",
2039 journal = "Phys. Rev. Lett.",
2042 pages = "4370--4373",
2046 doi = "10.1103/PhysRevLett.77.4370",
2047 publisher = "American Physical Society",
2048 notes = "first si edip",
2052 title = "Environment-dependent interatomic potential for bulk
2054 author = "Martin Z. Bazant and Efthimios Kaxiras and J. F.
2056 journal = "Phys. Rev. B",
2059 pages = "8542--8552",
2063 doi = "10.1103/PhysRevB.56.8542",
2064 publisher = "American Physical Society",
2065 notes = "second si edip",
2069 title = "Interatomic potential for silicon defects and
2071 author = "Jo\tilde{a}o F. Justo and Martin Z. Bazant and
2072 Efthimios Kaxiras and V. V. Bulatov and Sidney Yip",
2073 journal = "Phys. Rev. B",
2076 pages = "2539--2550",
2080 doi = "10.1103/PhysRevB.58.2539",
2081 publisher = "American Physical Society",
2082 notes = "latest si edip, good dislocation explanation",
2086 title = "{PARCAS} molecular dynamics code",
2087 author = "K. Nordlund",
2092 title = "Hyperdynamics: Accelerated Molecular Dynamics of
2094 author = "Arthur F. Voter",
2095 journal = "Phys. Rev. Lett.",
2098 pages = "3908--3911",
2102 doi = "10.1103/PhysRevLett.78.3908",
2103 publisher = "American Physical Society",
2104 notes = "hyperdynamics, accelerated md",
2108 author = "Arthur F. Voter",
2110 title = "A method for accelerating the molecular dynamics
2111 simulation of infrequent events",
2114 journal = "The Journal of Chemical Physics",
2117 pages = "4665--4677",
2118 keywords = "COMPUTERIZED SIMULATION; NICKEL; DIFFUSION; ATOM
2119 TRANSPORT; MOLECULAR ORBITAL METHOD; POTENTIAL ENERGY;
2120 SURFACE POTENTIAL; MOLECULAR DYNAMICS METHOD; potential
2121 energy functions; surface diffusion; reaction kinetics
2122 theory; potential energy surfaces",
2123 URL = "http://link.aip.org/link/?JCP/106/4665/1",
2124 doi = "10.1063/1.473503",
2125 notes = "improved hyperdynamics md",
2128 @Article{sorensen2000,
2129 author = "Mads R. S\o rensen and Arthur F. Voter",
2131 title = "Temperature-accelerated dynamics for simulation of
2135 journal = "The Journal of Chemical Physics",
2138 pages = "9599--9606",
2139 keywords = "SOLID STATE PHYSICS; SIMULATION; DIFFUSION; SURFACES;
2140 MOLECULAR DYNAMICS METHOD; surface diffusion",
2141 URL = "http://link.aip.org/link/?JCP/112/9599/1",
2142 doi = "10.1063/1.481576",
2143 notes = "temperature accelerated dynamics, tad",
2147 title = "Parallel replica method for dynamics of infrequent
2149 author = "Arthur F. Voter",
2150 journal = "Phys. Rev. B",
2153 pages = "R13985--R13988",
2157 doi = "10.1103/PhysRevB.57.R13985",
2158 publisher = "American Physical Society",
2159 notes = "parallel replica method, accelerated md",
2163 author = "Xiongwu Wu and Shaomeng Wang",
2165 title = "Enhancing systematic motion in molecular dynamics
2169 journal = "The Journal of Chemical Physics",
2172 pages = "9401--9410",
2173 keywords = "molecular dynamics method; argon; Lennard-Jones
2174 potential; crystallisation; liquid theory",
2175 URL = "http://link.aip.org/link/?JCP/110/9401/1",
2176 doi = "10.1063/1.478948",
2177 notes = "self guided md, sgmd, accelerated md, enhancing
2181 @Article{choudhary05,
2182 author = "Devashish Choudhary and Paulette Clancy",
2184 title = "Application of accelerated molecular dynamics schemes
2185 to the production of amorphous silicon",
2188 journal = "The Journal of Chemical Physics",
2194 keywords = "molecular dynamics method; silicon; glass structure;
2195 amorphous semiconductors",
2196 URL = "http://link.aip.org/link/?JCP/122/154509/1",
2197 doi = "10.1063/1.1878733",
2198 notes = "explanation of sgmd and hyper md, applied to amorphous
2203 author = "W. J. Taylor and T. Y. Tan and U. G{\"{o}}sele",
2205 title = "Carbon precipitation in silicon: Why is it so
2209 journal = "Applied Physics Letters",
2212 pages = "3336--3338",
2213 keywords = "SILICON; CARBON ADDITIONS; OXYGEN ADDITIONS; DOPED
2214 MATERIALS; PRECIPITATION; THERMODYNAMICS; SURFACE
2216 URL = "http://link.aip.org/link/?APL/62/3336/1",
2217 doi = "10.1063/1.109063",
2218 notes = "interfacial energy of cubic sic and si",
2221 @Article{chaussende08,
2222 title = "Prospects for 3{C}-Si{C} bulk crystal growth",
2223 journal = "Journal of Crystal Growth",
2228 note = "Proceedings of the E-MRS Conference, Symposium G -
2229 Substrates of Wide Bandgap Materials",
2231 doi = "DOI: 10.1016/j.jcrysgro.2007.11.140",
2232 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4R7J67S-F/2/e92fc194b652409f5b119393d608b082",
2233 author = "D. Chaussende and F. Mercier and A. Boulle and F.
2234 Conchon and M. Soueidan and G. Ferro and A. Mantzari
2235 and A. Andreadou and E. K. Polychroniadis and C.
2236 Balloud and S. Juillaguet and J. Camassel and M. Pons",
2237 notes = "3c-sic crystal growth, sic fabrication + links,
2242 title = "Forces in Molecules",
2243 author = "R. P. Feynman",
2244 journal = "Phys. Rev.",
2251 doi = "10.1103/PhysRev.56.340",
2252 publisher = "American Physical Society",
2253 notes = "hellmann feynman forces",
2257 title = "Bonding Arrangements at the $Si-Si{O}_{2}$ and
2258 $Si{C}-Si{O}_{2}$ Interfaces and a Possible Origin of
2259 their Contrasting Properties",
2260 author = "Ryszard Buczko and Stephen J. Pennycook and Sokrates
2262 journal = "Phys. Rev. Lett.",
2269 doi = "10.1103/PhysRevLett.84.943",
2270 publisher = "American Physical Society",
2271 notes = "si sio2 and sic sio2 interface",
2274 @Article{djurabekova08,
2275 title = "Atomistic simulation of the interface structure of Si
2276 nanocrystals embedded in amorphous silica",
2277 author = "Flyura Djurabekova and Kai Nordlund",
2278 journal = "Phys. Rev. B",
2285 doi = "10.1103/PhysRevB.77.115325",
2286 publisher = "American Physical Society",
2287 notes = "nc-si in sio2, interface energy, nc construction,
2288 angular distribution, coordination",
2292 author = "C. Wen and Y. M. Wang and W. Wan and F. H. Li and J.
2293 W. Liang and J. Zou",
2295 title = "Nature of interfacial defects and their roles in
2296 strain relaxation at highly lattice mismatched
2297 3{C}-Si{C}/Si (001) interface",
2300 journal = "Journal of Applied Physics",
2306 keywords = "anelastic relaxation; crystal structure; dislocations;
2307 elemental semiconductors; semiconductor growth;
2308 semiconductor thin films; silicon; silicon compounds;
2309 stacking faults; wide band gap semiconductors",
2310 URL = "http://link.aip.org/link/?JAP/106/073522/1",
2311 doi = "10.1063/1.3234380",
2312 notes = "sic/si interface, follow refs, tem image
2313 deconvolution, dislocation defects",
2316 @Article{kitabatake93,
2317 author = "Makoto Kitabatake and Masahiro Deguchi and Takashi
2320 title = "Simulations and experiments of Si{C} heteroepitaxial
2321 growth on Si(001) surface",
2324 journal = "Journal of Applied Physics",
2327 pages = "4438--4445",
2328 keywords = "SILICON CARBIDES; FILM GROWTH; SIMULATION; MOLECULAR
2329 BEAM EPITAXY; MOLECULAR DYNAMICS CALCULATIONS; SILICON;
2330 MICROSTRUCTURE; ULTRAVIOLET RADIATION; IRRADIATION",
2331 URL = "http://link.aip.org/link/?JAP/74/4438/1",
2332 doi = "10.1063/1.354385",
2333 notes = "mbe and md of sic growth on si, 4 to 5 shrinkage
2338 title = "Strain relaxation and thermal stability of the
2339 3{C}-Si{C}(001)/Si(001) interface: {A} molecular
2341 journal = "Thin Solid Films",
2348 doi = "DOI: 10.1016/S0040-6090(96)09257-7",
2349 URL = "http://www.sciencedirect.com/science/article/B6TW0-41WBB52-C/2/6ef684a04d02dd3b108f972377cde8f4",
2350 author = "V. Chirita and L. Hultman and L. R. Wallenberg",
2351 keywords = "Strain relaxation",
2352 keywords = "Interfaces",
2353 keywords = "Thermal stability",
2354 keywords = "Molecular dynamics",
2355 notes = "tersoff sic/si interface study",
2359 title = "Ab initio Study of Misfit Dislocations at the
2360 $Si{C}/Si(001)$ Interface",
2361 author = "Giancarlo Cicero and Laurent Pizzagalli and Alessandra
2363 journal = "Phys. Rev. Lett.",
2370 doi = "10.1103/PhysRevLett.89.156101",
2371 publisher = "American Physical Society",
2372 notes = "sic/si interface study",
2375 @Article{pizzagalli03,
2376 title = "Theoretical investigations of a highly mismatched
2377 interface: Si{C}/Si(001)",
2378 author = "Laurent Pizzagalli and Giancarlo Cicero and Alessandra
2380 journal = "Phys. Rev. B",
2387 doi = "10.1103/PhysRevB.68.195302",
2388 publisher = "American Physical Society",
2389 notes = "tersoff md and ab initio sic/si interface study",
2393 title = "Atomic configurations of dislocation core and twin
2394 boundaries in $ 3{C}-Si{C} $ studied by high-resolution
2395 electron microscopy",
2396 author = "C. Y. Tang and F. H. Li and R. Wang and J. Zou and X.
2397 H. Zheng and J. W. Liang",
2398 journal = "Phys. Rev. B",
2405 doi = "10.1103/PhysRevB.75.184103",
2406 publisher = "American Physical Society",
2407 notes = "hrem image deconvolution on 3c-sic on si, distinguish
2411 @Article{hornstra58,
2412 title = "Dislocations in the diamond lattice",
2413 journal = "Journal of Physics and Chemistry of Solids",
2420 doi = "DOI: 10.1016/0022-3697(58)90138-0",
2421 URL = "http://www.sciencedirect.com/science/article/B6TXR-46MMPHJ-10D/2/7176c01c29cd4e73faa26ab2aacdcea5",
2422 author = "J. Hornstra",
2423 notes = "dislocations in diamond lattice",
2426 @Article{eichhorn99,
2427 author = "F. Eichhorn and N. Schell and W. Matz and R.
2430 title = "Strain and Si{C} particle formation in silicon
2431 implanted with carbon ions of medium fluence studied by
2432 synchrotron x-ray diffraction",
2435 journal = "Journal of Applied Physics",
2438 pages = "4184--4187",
2439 keywords = "silicon; carbon; elemental semiconductors; chemical
2440 interdiffusion; ion implantation; X-ray diffraction;
2441 precipitation; semiconductor doping",
2442 URL = "http://link.aip.org/link/?JAP/86/4184/1",
2443 doi = "10.1063/1.371344",
2444 notes = "sic conversion by ibs, detected substitutional carbon,
2445 expansion of si lattice",
2448 @Article{eichhorn02,
2449 author = "F. Eichhorn and N. Schell and A. M{\"{u}}cklich and H.
2450 Metzger and W. Matz and R. K{\"{o}}gler",
2452 title = "Structural relation between Si and Si{C} formed by
2453 carbon ion implantation",
2456 journal = "Journal of Applied Physics",
2459 pages = "1287--1292",
2460 keywords = "silicon compounds; wide band gap semiconductors; ion
2461 implantation; annealing; X-ray scattering; transmission
2462 electron microscopy",
2463 URL = "http://link.aip.org/link/?JAP/91/1287/1",
2464 doi = "10.1063/1.1428105",
2465 notes = "3c-sic alignement to si host in ibs depending on
2466 temperature, might explain c int to c sub trafo",
2470 author = "G Lucas and M Bertolus and L Pizzagalli",
2471 title = "An environment-dependent interatomic potential for
2472 silicon carbide: calculation of bulk properties,
2473 high-pressure phases, point and extended defects, and
2474 amorphous structures",
2475 journal = "Journal of Physics: Condensed Matter",
2479 URL = "http://stacks.iop.org/0953-8984/22/i=3/a=035802",
2485 author = "J Godet and L Pizzagalli and S Brochard and P
2487 title = "Comparison between classical potentials and ab initio
2488 methods for silicon under large shear",
2489 journal = "Journal of Physics: Condensed Matter",
2493 URL = "http://stacks.iop.org/0953-8984/15/i=41/a=004",
2495 notes = "comparison of empirical potentials, stillinger weber,
2496 edip, tersoff, ab initio",
2499 @Article{moriguchi98,
2500 title = "Verification of Tersoff's Potential for Static
2501 Structural Analysis of Solids of Group-{IV} Elements",
2502 author = "Koji Moriguchi and Akira Shintani",
2503 journal = "Japanese Journal of Applied Physics",
2505 number = "Part 1, No. 2",
2509 URL = "http://jjap.ipap.jp/link?JJAP/37/414/",
2510 doi = "10.1143/JJAP.37.414",
2511 publisher = "The Japan Society of Applied Physics",
2512 notes = "tersoff stringent test",
2515 @Article{mazzarolo01,
2516 title = "Low-energy recoils in crystalline silicon: Quantum
2518 author = "Massimiliano Mazzarolo and Luciano Colombo and Giorgio
2519 Lulli and Eros Albertazzi",
2520 journal = "Phys. Rev. B",
2527 doi = "10.1103/PhysRevB.63.195207",
2528 publisher = "American Physical Society",
2531 @Article{holmstroem08,
2532 title = "Threshold defect production in silicon determined by
2533 density functional theory molecular dynamics
2535 author = "E. Holmstr{\"o}m and A. Kuronen and K. Nordlund",
2536 journal = "Phys. Rev. B",
2543 doi = "10.1103/PhysRevB.78.045202",
2544 publisher = "American Physical Society",
2545 notes = "threshold displacement comparison empirical and ab
2549 @Article{nordlund97,
2550 title = "Repulsive interatomic potentials calculated using
2551 Hartree-Fock and density-functional theory methods",
2552 journal = "Nuclear Instruments and Methods in Physics Research
2553 Section B: Beam Interactions with Materials and Atoms",
2560 doi = "DOI: 10.1016/S0168-583X(97)00447-3",
2561 URL = "http://www.sciencedirect.com/science/article/B6TJN-4CP0TGF-91/2/1a9100c0aae82d2d258fc83dfdba23c1",
2562 author = "K. Nordlund and N. Runeberg and D. Sundholm",
2563 notes = "repulsive ab initio potential",
2567 title = "Efficiency of ab-initio total energy calculations for
2568 metals and semiconductors using a plane-wave basis
2570 journal = "Computational Materials Science",
2577 doi = "DOI: 10.1016/0927-0256(96)00008-0",
2578 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74",
2579 author = "G. Kresse and J. Furthm{\"{u}}ller",
2584 title = "Projector augmented-wave method",
2585 author = "P. E. Bl{\"o}chl",
2586 journal = "Phys. Rev. B",
2589 pages = "17953--17979",
2593 doi = "10.1103/PhysRevB.50.17953",
2594 publisher = "American Physical Society",
2595 notes = "paw method",
2599 title = "Norm-Conserving Pseudopotentials",
2600 author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
2601 journal = "Phys. Rev. Lett.",
2604 pages = "1494--1497",
2608 doi = "10.1103/PhysRevLett.43.1494",
2609 publisher = "American Physical Society",
2610 notes = "norm-conserving pseudopotentials",
2613 @Article{vanderbilt90,
2614 title = "Soft self-consistent pseudopotentials in a generalized
2615 eigenvalue formalism",
2616 author = "David Vanderbilt",
2617 journal = "Phys. Rev. B",
2620 pages = "7892--7895",
2624 doi = "10.1103/PhysRevB.41.7892",
2625 publisher = "American Physical Society",
2626 notes = "vasp pseudopotentials",
2630 title = "Accurate and simple density functional for the
2631 electronic exchange energy: Generalized gradient
2633 author = "John P. Perdew and Wang Yue",
2634 journal = "Phys. Rev. B",
2637 pages = "8800--8802",
2641 doi = "10.1103/PhysRevB.33.8800",
2642 publisher = "American Physical Society",
2643 notes = "rapid communication gga",
2647 title = "Generalized gradient approximations for exchange and
2648 correlation: {A} look backward and forward",
2649 journal = "Physica B: Condensed Matter",
2656 doi = "DOI: 10.1016/0921-4526(91)90409-8",
2657 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8GR9-3D/2/18e610a616e4d80b934079c89063ece7",
2658 author = "John P. Perdew",
2659 notes = "gga overview",
2663 title = "Atoms, molecules, solids, and surfaces: Applications
2664 of the generalized gradient approximation for exchange
2666 author = "John P. Perdew and J. A. Chevary and S. H. Vosko and
2667 Koblar A. Jackson and Mark R. Pederson and D. J. Singh
2668 and Carlos Fiolhais",
2669 journal = "Phys. Rev. B",
2672 pages = "6671--6687",
2676 doi = "10.1103/PhysRevB.46.6671",
2677 publisher = "American Physical Society",
2678 notes = "gga pw91 (as in vasp)",
2681 @Article{baldereschi73,
2682 title = "Mean-Value Point in the Brillouin Zone",
2683 author = "A. Baldereschi",
2684 journal = "Phys. Rev. B",
2687 pages = "5212--5215",
2691 doi = "10.1103/PhysRevB.7.5212",
2692 publisher = "American Physical Society",
2693 notes = "mean value k point",
2697 title = "Ab initio pseudopotential calculations of dopant
2699 journal = "Computational Materials Science",
2706 doi = "DOI: 10.1016/S0927-0256(98)00023-8",
2707 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VB7F2K-7/2/aa864582273be8e054300efb7bd16a1b",
2708 author = "Jing Zhu",
2709 keywords = "TED (transient enhanced diffusion)",
2710 keywords = "Boron dopant",
2711 keywords = "Carbon dopant",
2712 keywords = "Defect",
2713 keywords = "ab initio pseudopotential method",
2714 keywords = "Impurity cluster",
2715 notes = "binding of c to si interstitial, c in si defects",
2719 author = "A. Nejim and P. L. F. Hemment and J. Stoemenos",
2721 title = "Si{C} buried layer formation by ion beam synthesis at
2725 journal = "Applied Physics Letters",
2728 pages = "2646--2648",
2729 keywords = "SILICON; ION IMPLANTATION; CARBON IONS; SILICON
2730 CARBIDES; BURIED LAYERS; SYNTHESIS; KEV RANGE 100 --
2731 1000; CRYSTAL DEFECTS; MORPHOLOGY; RBS; TRANSMISSION
2732 ELECTRON MICROSCOPY",
2733 URL = "http://link.aip.org/link/?APL/66/2646/1",
2734 doi = "10.1063/1.113112",
2735 notes = "precipitation mechanism by substitutional carbon, si
2736 self interstitials react with further implanted c",
2740 author = "C. Guedj and M. W. Dashiell and L. Kulik and J.
2741 Kolodzey and A. Hairie",
2743 title = "Precipitation of beta-Si{C} in Si[sub 1 - y]{C}[sub y]
2747 journal = "Journal of Applied Physics",
2750 pages = "4631--4633",
2751 keywords = "silicon compounds; precipitation; localised modes;
2752 semiconductor epitaxial layers; infrared spectra;
2753 Fourier transform spectra; thermal stability;
2755 URL = "http://link.aip.org/link/?JAP/84/4631/1",
2756 doi = "10.1063/1.368703",
2757 notes = "coherent 3C-SiC, topotactic, critical coherence size",
2761 author = "R Jones and B J Coomer and P R Briddon",
2762 title = "Quantum mechanical modelling of defects in
2764 journal = "Journal of Physics: Condensed Matter",
2768 URL = "http://stacks.iop.org/0953-8984/16/i=27/a=004",
2770 notes = "ab inito init, vibrational modes, c defect in si",
2774 author = "S. Y. Park and J. D'Arcy-Gall and D. Gall and J. A. N.
2775 T Soares and Y.-W. Kim and H. Kim and P. Desjardins and
2776 J. E. Greene and S. G. Bishop",
2778 title = "Carbon incorporation pathways and lattice sites in
2779 Si[sub 1 - y]{C}[sub y] alloys grown on Si(001) by
2780 molecular-beam epitaxy",
2783 journal = "Journal of Applied Physics",
2786 pages = "5716--5727",
2787 URL = "http://link.aip.org/link/?JAP/91/5716/1",
2788 doi = "10.1063/1.1465122",
2789 notes = "c substitutional incorporation pathway, dft and expt",
2793 title = "Dynamic properties of interstitial carbon and
2794 carbon-carbon pair defects in silicon",
2795 author = "P. Leary and R. Jones and S. {\"O}berg and V. J. B.
2797 journal = "Phys. Rev. B",
2800 pages = "2188--2194",
2804 doi = "10.1103/PhysRevB.55.2188",
2805 publisher = "American Physical Society",
2806 notes = "ab initio c in si and di-carbon defect, no formation
2807 energies, different migration barriers and paths",
2811 title = "Interstitial carbon and the carbon-carbon pair in
2812 silicon: Semiempirical electronic-structure
2814 author = "Matthew J. Burnard and Gary G. DeLeo",
2815 journal = "Phys. Rev. B",
2818 pages = "10217--10225",
2822 doi = "10.1103/PhysRevB.47.10217",
2823 publisher = "American Physical Society",
2824 notes = "semi empirical mndo, pm3 and mindo3 c in si and di
2825 carbon defect, formation energies",
2829 title = "Review of atomistic simulations of surface diffusion
2830 and growth on semiconductors",
2831 journal = "Computational Materials Science",
2836 note = "Proceedings of the Workshop on Virtual Molecular Beam
2839 doi = "DOI: 10.1016/0927-0256(96)00030-4",
2840 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VSFF1G-7/2/afc8408b00ded1ca2dc3ad1686c2dae6",
2841 author = "Efthimios Kaxiras",
2842 notes = "might contain c 100 db formation energy, overview md,
2843 tight binding, first principles",
2846 @Article{kaukonen98,
2847 title = "Effect of {N} and {B} doping on the growth of {CVD}
2849 $(100):{H}(2\ifmmode\times\else\texttimes\fi{}1)$
2851 author = "M. Kaukonen and P. K. Sitch and G. Jungnickel and R.
2852 M. Nieminen and Sami P{\"o}ykk{\"o} and D. Porezag and
2854 journal = "Phys. Rev. B",
2857 pages = "9965--9970",
2861 doi = "10.1103/PhysRevB.57.9965",
2862 publisher = "American Physical Society",
2863 notes = "constrained conjugate gradient relaxation technique
2868 title = "Correlation between the antisite pair and the ${DI}$
2870 author = "A. Gali and P. De\'ak and E. Rauls and N. T. Son and
2871 I. G. Ivanov and F. H. C. Carlsson and E. Janz\'en and
2873 journal = "Phys. Rev. B",
2880 doi = "10.1103/PhysRevB.67.155203",
2881 publisher = "American Physical Society",
2885 title = "Production and recovery of defects in Si{C} after
2886 irradiation and deformation",
2887 journal = "Journal of Nuclear Materials",
2890 pages = "1803--1808",
2894 doi = "DOI: 10.1016/S0022-3115(98)00139-1",
2895 URL = "http://www.sciencedirect.com/science/article/B6TXN-43G486N-47/2/56905f48f025ab98e5de4d6cde09c62b",
2896 author = "J. Chen and P. Jung and H. Klein",
2900 title = "Accumulation, dynamic annealing and thermal recovery
2901 of ion-beam-induced disorder in silicon carbide",
2902 journal = "Nuclear Instruments and Methods in Physics Research
2903 Section B: Beam Interactions with Materials and Atoms",
2910 doi = "DOI: 10.1016/S0168-583X(00)00542-5",
2911 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KH7Y-2R/2/8acc176700c95bb8614d96c40cfc5577",
2912 author = "W. J. Weber and W. Jiang and S. Thevuthasan",
2913 keywords = "Amorphization",
2914 keywords = "Irradiation effects",
2915 keywords = "Thermal recovery",
2916 keywords = "Silicon carbide",
2919 @Article{bockstedte03,
2920 title = "Ab initio study of the migration of intrinsic defects
2922 author = "Michel Bockstedte and Alexander Mattausch and Oleg
2924 journal = "Phys. Rev. B",
2931 doi = "10.1103/PhysRevB.68.205201",
2932 publisher = "American Physical Society",
2933 notes = "defect migration in sic",
2937 title = "Theoretical study of vacancy diffusion and
2938 vacancy-assisted clustering of antisites in Si{C}",
2939 author = "E. Rauls and Th. Frauenheim and A. Gali and P.
2941 journal = "Phys. Rev. B",
2948 doi = "10.1103/PhysRevB.68.155208",
2949 publisher = "American Physical Society",