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 study of self-diffusion in silicon over a
500 wide temperature range: Point defect states and
501 migration mechanisms",
502 author = "Shangyi Ma and Shaoqing Wang",
503 journal = "Phys. Rev. B",
510 doi = "10.1103/PhysRevB.81.193203",
511 publisher = "American Physical Society",
512 notes = "si self interstitial diffusion + refs",
516 title = "Atomistic simulations on the thermal stability of the
517 antisite pair in 3{C}- and 4{H}-Si{C}",
518 author = "M. Posselt and F. Gao and W. J. Weber",
519 journal = "Phys. Rev. B",
526 doi = "10.1103/PhysRevB.73.125206",
527 publisher = "American Physical Society",
531 title = "Correlation between self-diffusion in Si and the
532 migration mechanisms of vacancies and
533 self-interstitials: An atomistic study",
534 author = "M. Posselt and F. Gao and H. Bracht",
535 journal = "Phys. Rev. B",
542 doi = "10.1103/PhysRevB.78.035208",
543 publisher = "American Physical Society",
544 notes = "si self-interstitial and vacancy diffusion, stillinger
549 title = "Ab initio and empirical-potential studies of defect
550 properties in $3{C}-Si{C}$",
551 author = "F. Gao and E. J. Bylaska and W. J. Weber and L. R.
553 journal = "Phys. Rev. B",
560 doi = "10.1103/PhysRevB.64.245208",
561 publisher = "American Physical Society",
562 notes = "defects in 3c-sic",
566 title = "Empirical potential approach for defect properties in
568 journal = "Nuclear Instruments and Methods in Physics Research
569 Section B: Beam Interactions with Materials and Atoms",
576 doi = "DOI: 10.1016/S0168-583X(02)00600-6",
577 URL = "http://www.sciencedirect.com/science/article/B6TJN-453NR6B-G/2/e65b0730e94e13d66f72a2147b449ea7",
578 author = "Fei Gao and William J. Weber",
579 keywords = "Empirical potential",
580 keywords = "Defect properties",
581 keywords = "Silicon carbide",
582 keywords = "Computer simulation",
583 notes = "sic potential, brenner type, like erhart/albe",
587 title = "Atomistic study of intrinsic defect migration in
589 author = "Fei Gao and William J. Weber and M. Posselt and V.
591 journal = "Phys. Rev. B",
598 doi = "10.1103/PhysRevB.69.245205",
599 publisher = "American Physical Society",
600 notes = "defect migration in sic",
604 author = "F. Gao and J. Du and E. J. Bylaska and M. Posselt and
607 title = "Ab Initio atomic simulations of antisite pair recovery
608 in cubic silicon carbide",
611 journal = "Applied Physics Letters",
617 keywords = "ab initio calculations; silicon compounds; antisite
618 defects; wide band gap semiconductors; molecular
619 dynamics method; density functional theory;
620 electron-hole recombination; photoluminescence;
621 impurities; diffusion",
622 URL = "http://link.aip.org/link/?APL/90/221915/1",
623 doi = "10.1063/1.2743751",
626 @Article{mattoni2002,
627 title = "Self-interstitial trapping by carbon complexes in
628 crystalline silicon",
629 author = "A. Mattoni and F. Bernardini and L. Colombo",
630 journal = "Phys. Rev. B",
637 doi = "10.1103/PhysRevB.66.195214",
638 publisher = "American Physical Society",
639 notes = "c in c-si, diffusion, interstitial configuration +
640 links, interaction of carbon and silicon interstitials,
641 tersoff suitability",
645 title = "Calculations of Silicon Self-Interstitial Defects",
646 author = "W.-K. Leung and R. J. Needs and G. Rajagopal and S.
648 journal = "Phys. Rev. Lett.",
651 pages = "2351--2354",
655 doi = "10.1103/PhysRevLett.83.2351",
656 publisher = "American Physical Society",
657 notes = "nice images of the defects, si defect overview +
662 title = "Identification of the migration path of interstitial
664 author = "R. B. Capaz and A. {Dal Pino} and J. D. Joannopoulos",
665 journal = "Phys. Rev. B",
668 pages = "7439--7442",
672 doi = "10.1103/PhysRevB.50.7439",
673 publisher = "American Physical Society",
674 notes = "carbon interstitial migration path shown, 001 c-si
679 title = "Theory of carbon-carbon pairs in silicon",
680 author = "R. B. Capaz and A. {Dal Pino} and J. D. Joannopoulos",
681 journal = "Phys. Rev. B",
684 pages = "9845--9850",
688 doi = "10.1103/PhysRevB.58.9845",
689 publisher = "American Physical Society",
690 notes = "carbon pairs in si",
694 title = "Ab initio investigation of carbon-related defects in
696 author = "A. {Dal Pino} and Andrew M. Rappe and J. D.
698 journal = "Phys. Rev. B",
701 pages = "12554--12557",
705 doi = "10.1103/PhysRevB.47.12554",
706 publisher = "American Physical Society",
707 notes = "c interstitials in crystalline silicon",
711 title = "Microscopic Theory of Atomic Diffusion Mechanisms in
713 author = "Roberto Car and Paul J. Kelly and Atsushi Oshiyama and
714 Sokrates T. Pantelides",
715 journal = "Phys. Rev. Lett.",
718 pages = "1814--1817",
722 doi = "10.1103/PhysRevLett.52.1814",
723 publisher = "American Physical Society",
724 notes = "microscopic theory diffusion silicon dft migration
729 title = "Unified Approach for Molecular Dynamics and
730 Density-Functional Theory",
731 author = "R. Car and M. Parrinello",
732 journal = "Phys. Rev. Lett.",
735 pages = "2471--2474",
739 doi = "10.1103/PhysRevLett.55.2471",
740 publisher = "American Physical Society",
741 notes = "car parrinello method, dft and md",
745 title = "Short-range order, bulk moduli, and physical trends in
746 c-$Si1-x$$Cx$ alloys",
747 author = "P. C. Kelires",
748 journal = "Phys. Rev. B",
751 pages = "8784--8787",
755 doi = "10.1103/PhysRevB.55.8784",
756 publisher = "American Physical Society",
757 notes = "c strained si, montecarlo md, bulk moduli, next
762 title = "Monte Carlo Studies of Ternary Semiconductor Alloys:
763 Application to the $Si1-x-yGexCy$ System",
764 author = "P. C. Kelires",
765 journal = "Phys. Rev. Lett.",
768 pages = "1114--1117",
772 doi = "10.1103/PhysRevLett.75.1114",
773 publisher = "American Physical Society",
774 notes = "mc md, strain compensation in si ge by c insertion",
778 title = "Low temperature electron irradiation of silicon
780 journal = "Solid State Communications",
787 doi = "DOI: 10.1016/0038-1098(70)90074-8",
788 URL = "http://www.sciencedirect.com/science/article/B6TVW-46MF8S4-156/2/5f4d9c189a3d97227fde9214195aa081",
789 author = "A. R. Bean and R. C. Newman",
793 title = "{EPR} Observation of the Isolated Interstitial Carbon
795 author = "G. D. Watkins and K. L. Brower",
796 journal = "Phys. Rev. Lett.",
799 pages = "1329--1332",
803 doi = "10.1103/PhysRevLett.36.1329",
804 publisher = "American Physical Society",
805 notes = "epr observations of 100 interstitial carbon atom in
810 title = "{EPR} identification of the single-acceptor state of
811 interstitial carbon in silicon",
812 author = "L. W. Song and G. D. Watkins",
813 journal = "Phys. Rev. B",
816 pages = "5759--5764",
820 doi = "10.1103/PhysRevB.42.5759",
821 publisher = "American Physical Society",
822 notes = "carbon diffusion in silicon",
826 author = "A K Tipping and R C Newman",
827 title = "The diffusion coefficient of interstitial carbon in
829 journal = "Semiconductor Science and Technology",
833 URL = "http://stacks.iop.org/0268-1242/2/315",
835 notes = "diffusion coefficient of carbon interstitials in
840 title = "Carbon incorporation into Si at high concentrations by
841 ion implantation and solid phase epitaxy",
842 author = "J. W. Strane and S. R. Lee and H. J. Stein and S. T.
843 Picraux and J. K. Watanabe and J. W. Mayer",
844 journal = "J. Appl. Phys.",
849 doi = "10.1063/1.360806",
850 notes = "strained silicon, carbon supersaturation",
853 @Article{laveant2002,
854 title = "Epitaxy of carbon-rich silicon with {MBE}",
855 journal = "Materials Science and Engineering B",
861 doi = "DOI: 10.1016/S0921-5107(01)00794-2",
862 URL = "http://www.sciencedirect.com/science/article/B6TXF-44YVPGS-1V/2/024ece074ad18ebbec62a39a2510a268",
863 author = "P. Lav\'eant and G. Gerth and P. Werner and U.
865 notes = "low c in si, tensile stress to compensate compressive
866 stress, avoid sic precipitation",
870 author = "P. Werner and S. Eichler and G. Mariani and R.
871 K{\"{o}}gler and W. Skorupa",
872 title = "Investigation of {C}[sub x]Si defects in {C} implanted
873 silicon by transmission electron microscopy",
876 journal = "Applied Physics Letters",
880 keywords = "silicon; ion implantation; carbon; crystal defects;
881 transmission electron microscopy; annealing; positron
882 annihilation; secondary ion mass spectroscopy; buried
883 layers; precipitation",
884 URL = "http://link.aip.org/link/?APL/70/252/1",
885 doi = "10.1063/1.118381",
886 notes = "si-c complexes, agglomerate, sic in si matrix, sic
890 @InProceedings{werner96,
891 author = "P. Werner and R. K{\"{o}}gler and W. Skorupa and D.
893 booktitle = "Ion Implantation Technology. Proceedings of the 11th
894 International Conference on",
895 title = "{TEM} investigation of {C}-Si defects in carbon
902 keywords = "beta;-SiC precipitates;30 s;700 to 1300 C;C
903 atom/radiation induced defect interaction;C depth
904 distribution;C precipitation;C-Si defects;C-Si
905 dimers;CZ Si;HREM;Si:C;TEM;buried layer morphology;high
906 energy ion implantation;ion implantation;metastable
907 agglomerates;microdefects;positron annihilation
908 spectroscopy;rapid thermal annealing;secondary ion mass
909 spectrometry;vacancy clusters;buried
910 layers;carbon;elemental semiconductors;impurity-defect
911 interactions;ion implantation;positron
912 annihilation;precipitation;rapid thermal
913 annealing;secondary ion mass
914 spectra;silicon;transmission electron
915 microscopy;vacancies (crystal);",
916 doi = "10.1109/IIT.1996.586497",
918 notes = "c-si agglomerates dumbbells",
922 author = "J. W. Strane and H. J. Stein and S. R. Lee and S. T.
923 Picraux and J. K. Watanabe and J. W. Mayer",
925 title = "Precipitation and relaxation in strained Si[sub 1 -
926 y]{C}[sub y]/Si heterostructures",
929 journal = "Journal of Applied Physics",
932 pages = "3656--3668",
933 keywords = "SILICON CARBIDES; SILICON; PRECIPITATION; STRAINS",
934 URL = "http://link.aip.org/link/?JAP/76/3656/1",
935 doi = "10.1063/1.357429",
936 notes = "strained si-c to 3c-sic, carbon nucleation + refs,
937 precipitation by substitutional carbon, coherent prec,
938 coherent to incoherent transition strain vs interface
943 author = "G. G. Fischer and P. Zaumseil and E. Bugiel and H. J.
946 title = "Investigation of the high temperature behavior of
947 strained Si[sub 1 - y]{C}[sub y] /Si heterostructures",
950 journal = "Journal of Applied Physics",
953 pages = "1934--1937",
954 keywords = "SILICON CARBIDES; SILICON; HETEROSTRUCTURES; STRAINS;
955 XRD; MOLECULAR BEAM EPITAXY; STABILITY; TENSILE
956 PROPERTIES; EPITAXIAL LAYERS; ANNEALING; PRECIPITATION;
957 TEMPERATURE RANGE 04001000 K",
958 URL = "http://link.aip.org/link/?JAP/77/1934/1",
959 doi = "10.1063/1.358826",
963 title = "Prospects for device implementation of wide band gap
965 author = "J. H. Edgar",
966 journal = "J. Mater. Res.",
971 doi = "10.1557/JMR.1992.0235",
972 notes = "properties wide band gap semiconductor, sic
976 @Article{zirkelbach2007,
977 title = "Monte Carlo simulation study of a selforganisation
978 process leading to ordered precipitate structures",
979 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
981 journal = "Nucl. Instr. and Meth. B",
988 doi = "doi:10.1016/j.nimb.2006.12.118",
989 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
993 @Article{zirkelbach2006,
994 title = "Monte-Carlo simulation study of the self-organization
995 of nanometric amorphous precipitates in regular arrays
996 during ion irradiation",
997 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
999 journal = "Nucl. Instr. and Meth. B",
1006 doi = "doi:10.1016/j.nimb.2005.08.162",
1007 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
1011 @Article{zirkelbach2005,
1012 title = "Modelling of a selforganization process leading to
1013 periodic arrays of nanometric amorphous precipitates by
1015 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1017 journal = "Comp. Mater. Sci.",
1024 doi = "doi:10.1016/j.commatsci.2004.12.016",
1025 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
1030 title = "Controlling the density distribution of Si{C}
1031 nanocrystals for the ion beam synthesis of buried Si{C}
1033 journal = "Nuclear Instruments and Methods in Physics Research
1034 Section B: Beam Interactions with Materials and Atoms",
1041 doi = "DOI: 10.1016/S0168-583X(98)00598-9",
1042 URL = "http://www.sciencedirect.com/science/article/B6TJN-3YMWWDY-1H/2/ad53e614f783b2a7474aecb936dd0169",
1043 author = "J. K. N. Lindner and B. Stritzker",
1044 notes = "two-step implantation process",
1047 @Article{lindner99_2,
1048 title = "Mechanisms in the ion beam synthesis of Si{C} layers
1050 journal = "Nuclear Instruments and Methods in Physics Research
1051 Section B: Beam Interactions with Materials and Atoms",
1057 doi = "DOI: 10.1016/S0168-583X(98)00787-3",
1058 URL = "http://www.sciencedirect.com/science/article/B6TJN-3XGFSSH-3H/2/17d138baa6db68cb279e6de9161e5f85",
1059 author = "J. K. N. Lindner and B. Stritzker",
1060 notes = "3c-sic precipitation model, c-si dimers (dumbbells)",
1064 title = "Ion beam synthesis of buried Si{C} layers in silicon:
1065 Basic physical processes",
1066 journal = "Nuclear Instruments and Methods in Physics Research
1067 Section B: Beam Interactions with Materials and Atoms",
1074 doi = "DOI: 10.1016/S0168-583X(01)00504-3",
1075 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KG96-8/2/f222574d8945c3fd7aaf9ae1efdd37b3",
1076 author = "J{\"{o}}rg K. N. Lindner",
1080 title = "High-dose carbon implantations into silicon:
1081 fundamental studies for new technological tricks",
1082 author = "J. K. N. Lindner",
1083 journal = "Appl. Phys. A",
1087 doi = "10.1007/s00339-002-2062-8",
1088 notes = "ibs, burried sic layers",
1092 title = "Ion beam synthesis of 3{C}-Si{C} layers in Si and its
1093 application in buffer layer for Ga{N} epitaxial
1095 journal = "Applied Surface Science",
1100 note = "APHYS'03 Special Issue",
1102 doi = "DOI: 10.1016/j.apsusc.2004.05.199",
1103 URL = "http://www.sciencedirect.com/science/article/B6THY-4CTTNGX-B/2/d24ee637db87f3f1a6ef7fe6820f267c",
1104 author = "Y. Ito and T. Yamauchi and A. Yamamoto and M. Sasase
1105 and S. Nishio and K. Yasuda and Y. Ishigami",
1106 notes = "gan on 3c-sic",
1110 author = "B. J. Alder and T. E. Wainwright",
1111 title = "Phase Transition for a Hard Sphere System",
1114 journal = "The Journal of Chemical Physics",
1117 pages = "1208--1209",
1118 URL = "http://link.aip.org/link/?JCP/27/1208/1",
1119 doi = "10.1063/1.1743957",
1123 author = "B. J. Alder and T. E. Wainwright",
1124 title = "Studies in Molecular Dynamics. {I}. General Method",
1127 journal = "The Journal of Chemical Physics",
1131 URL = "http://link.aip.org/link/?JCP/31/459/1",
1132 doi = "10.1063/1.1730376",
1135 @Article{tersoff_si1,
1136 title = "New empirical model for the structural properties of
1138 author = "J. Tersoff",
1139 journal = "Phys. Rev. Lett.",
1146 doi = "10.1103/PhysRevLett.56.632",
1147 publisher = "American Physical Society",
1150 @Article{tersoff_si2,
1151 title = "New empirical approach for the structure and energy of
1153 author = "J. Tersoff",
1154 journal = "Phys. Rev. B",
1157 pages = "6991--7000",
1161 doi = "10.1103/PhysRevB.37.6991",
1162 publisher = "American Physical Society",
1165 @Article{tersoff_si3,
1166 title = "Empirical interatomic potential for silicon with
1167 improved elastic properties",
1168 author = "J. Tersoff",
1169 journal = "Phys. Rev. B",
1172 pages = "9902--9905",
1176 doi = "10.1103/PhysRevB.38.9902",
1177 publisher = "American Physical Society",
1181 title = "Empirical Interatomic Potential for Carbon, with
1182 Applications to Amorphous Carbon",
1183 author = "J. Tersoff",
1184 journal = "Phys. Rev. Lett.",
1187 pages = "2879--2882",
1191 doi = "10.1103/PhysRevLett.61.2879",
1192 publisher = "American Physical Society",
1196 title = "Modeling solid-state chemistry: Interatomic potentials
1197 for multicomponent systems",
1198 author = "J. Tersoff",
1199 journal = "Phys. Rev. B",
1202 pages = "5566--5568",
1206 doi = "10.1103/PhysRevB.39.5566",
1207 publisher = "American Physical Society",
1211 title = "Carbon defects and defect reactions in silicon",
1212 author = "J. Tersoff",
1213 journal = "Phys. Rev. Lett.",
1216 pages = "1757--1760",
1220 doi = "10.1103/PhysRevLett.64.1757",
1221 publisher = "American Physical Society",
1225 title = "Point defects and dopant diffusion in silicon",
1226 author = "P. M. Fahey and P. B. Griffin and J. D. Plummer",
1227 journal = "Rev. Mod. Phys.",
1234 doi = "10.1103/RevModPhys.61.289",
1235 publisher = "American Physical Society",
1239 title = "Silicon carbide: synthesis and processing",
1240 journal = "Nuclear Instruments and Methods in Physics Research
1241 Section B: Beam Interactions with Materials and Atoms",
1246 note = "Radiation Effects in Insulators",
1248 doi = "DOI: 10.1016/0168-583X(96)00065-1",
1249 URL = "http://www.sciencedirect.com/science/article/B6TJN-3VXHNFT-C7/2/4216cb1ec9e422c22de5fed7360fb06e",
1250 author = "W. Wesch",
1254 author = "H. Morko\c{c} and S. Strite and G. B. Gao and M. E.
1255 Lin and B. Sverdlov and M. Burns",
1257 title = "Large-band-gap Si{C}, {III}-{V} nitride, and {II}-{VI}
1258 ZnSe-based semiconductor device technologies",
1261 journal = "Journal of Applied Physics",
1264 pages = "1363--1398",
1265 keywords = "SEMICONDUCTOR DEVICES; SILICON CARBIDES; GALLIUM
1266 NITRIDES; ZINC SELENIDES; SUBSTRATES; MOS JUNCTIONS;
1267 LASER MATERIALS; MATERIALS; REVIEWS; ENERGY GAP; THIN
1269 URL = "http://link.aip.org/link/?JAP/76/1363/1",
1270 doi = "10.1063/1.358463",
1271 notes = "sic intro, properties",
1275 author = "P. G. Neudeck",
1276 title = "{PROGRESS} {IN} {SILICON}-{CARBIDE} {SEMICONDUCTOR}
1277 {ELECTRONICS} {TECHNOLOGY}",
1278 journal = "Journal of Electronic Materials",
1287 author = "Noch Unbekannt",
1288 title = "How to find references",
1289 journal = "Journal of Applied References",
1296 title = "Atomistic simulation of thermomechanical properties of
1298 author = "Meijie Tang and Sidney Yip",
1299 journal = "Phys. Rev. B",
1302 pages = "15150--15159",
1305 doi = "10.1103/PhysRevB.52.15150",
1306 notes = "modified tersoff, scale cutoff with volume, promising
1307 tersoff reparametrization",
1308 publisher = "American Physical Society",
1312 title = "Silicon carbide as a new {MEMS} technology",
1313 journal = "Sensors and Actuators A: Physical",
1319 doi = "DOI: 10.1016/S0924-4247(99)00335-0",
1320 URL = "http://www.sciencedirect.com/science/article/B6THG-406VM55-13/2/75385a587669b215d9ef88029a93fd59",
1321 author = "Pasqualina M. Sarro",
1323 keywords = "Silicon carbide",
1324 keywords = "Micromachining",
1325 keywords = "Mechanical stress",
1329 title = "Status of silicon carbide (Si{C}) as a wide-bandgap
1330 semiconductor for high-temperature applications: {A}
1332 journal = "Solid-State Electronics",
1335 pages = "1409--1422",
1338 doi = "DOI: 10.1016/0038-1101(96)00045-7",
1339 URL = "http://www.sciencedirect.com/science/article/B6TY5-3VSR9J0-1/2/a871c11636e937dc45bfdf48e29f725b",
1340 author = "J. B. Casady and R. W. Johnson",
1341 notes = "sic intro",
1344 @Article{giancarli98,
1345 title = "Design requirements for Si{C}/Si{C} composites
1346 structural material in fusion power reactor blankets",
1347 journal = "Fusion Engineering and Design",
1353 doi = "DOI: 10.1016/S0920-3796(97)00200-7",
1354 URL = "http://www.sciencedirect.com/science/article/B6V3C-3V8RYK8-T/2/16949194114900fd1330f79892d7a7be",
1355 author = "L. Giancarli and J. P. Bonal and A. Caso and G. Le
1356 Marois and N. B. Morley and J. F. Salavy",
1360 title = "Electrical and optical characterization of Si{C}",
1361 journal = "Physica B: Condensed Matter",
1367 doi = "DOI: 10.1016/0921-4526(93)90249-6",
1368 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8HRX-99/2/eab9398bf2bbf10df3ae42c2ab28a776",
1369 author = "G. Pensl and W. J. Choyke",
1373 title = "Investigation of growth processes of ingots of silicon
1374 carbide single crystals",
1375 journal = "Journal of Crystal Growth",
1380 notes = "modified lely process",
1382 doi = "DOI: 10.1016/0022-0248(78)90169-0",
1383 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BY2NR-7S/2/fa6fee78ebd8322491f6366e72d5b6dc",
1384 author = "Yu. M. Tairov and V. F. Tsvetkov",
1388 author = "Shigehiro Nishino and J. Anthony Powell and Herbert A.
1391 title = "Production of large-area single-crystal wafers of
1392 cubic Si{C} for semiconductor devices",
1395 journal = "Applied Physics Letters",
1399 keywords = "silicon carbides; layers; chemical vapor deposition;
1401 URL = "http://link.aip.org/link/?APL/42/460/1",
1402 doi = "10.1063/1.93970",
1403 notes = "cvd of 3c-sic on si, sic buffer layer",
1407 author = "Shigehiro Nishino and Hajime Suhara and Hideyuki Ono
1408 and Hiroyuki Matsunami",
1410 title = "Epitaxial growth and electric characteristics of cubic
1414 journal = "Journal of Applied Physics",
1417 pages = "4889--4893",
1418 URL = "http://link.aip.org/link/?JAP/61/4889/1",
1419 doi = "10.1063/1.338355",
1420 notes = "cvd of 3c-sic on si, sic buffer layer, first time
1425 author = "J. Anthony Powell and Lawrence G. Matus and Maria A.
1427 title = "Growth and Characterization of Cubic Si{C}
1428 Single-Crystal Films on Si",
1431 journal = "Journal of The Electrochemical Society",
1434 pages = "1558--1565",
1435 keywords = "semiconductor materials; silicon compounds; carbon
1436 compounds; crystal morphology; electron mobility",
1437 URL = "http://link.aip.org/link/?JES/134/1558/1",
1438 doi = "10.1149/1.2100708",
1439 notes = "blue light emitting diodes (led)",
1443 author = "Tsunenobu Kimoto and Hironori Nishino and Woo Sik Yoo
1444 and Hiroyuki Matsunami",
1445 title = "Growth mechanism of 6{H}-Si{C} in step-controlled
1449 journal = "Journal of Applied Physics",
1453 keywords = "SILICON CARBIDES; EPITAXY; GROWTH RATE; TEMPERATURE
1454 RANGE 10004000 K; TWINNING; ACTIVATION ENERGY; CHEMICAL
1456 URL = "http://link.aip.org/link/?JAP/73/726/1",
1457 doi = "10.1063/1.353329",
1458 notes = "cvd of 6h-sic on 6h-sic, twinned 3c-sic",
1462 author = "J. A. Powell and D. J. Larkin and L. G. Matus and W.
1463 J. Choyke and J. L. Bradshaw and L. Henderson and M.
1464 Yoganathan and J. Yang and P. Pirouz",
1466 title = "Growth of improved quality 3{C}-Si{C} films on
1467 6{H}-Si{C} substrates",
1470 journal = "Applied Physics Letters",
1473 pages = "1353--1355",
1474 keywords = "SILICON CARBIDES; CHEMICAL VAPOR DEPOSITION; SORPTIVE
1475 PROPERTIES; PHOTOLUMINESCENCE; TRANSMISSION ELECTRON
1476 MICROSCOPY; DEFECT STRUCTURE; STACKING FAULTS; VAPOR
1478 URL = "http://link.aip.org/link/?APL/56/1353/1",
1479 doi = "10.1063/1.102512",
1480 notes = "cvd of 3c-sic on 6h-sic",
1484 author = "C. Yuan and A. J. Steckl and J. Chaudhuri and R.
1485 Thokala and M. J. Loboda",
1487 title = "Reduced temperature growth of crystalline 3{C}-Si{C}
1488 films on 6{H}-Si{C} by chemical vapor deposition from
1492 journal = "Journal of Applied Physics",
1495 pages = "1271--1273",
1496 keywords = "SILICON CARBIDES; THIN FILMS; CVD; EPITAXY; ABSORPTION
1497 EDGE; CRYSTAL STRUCTURE; STRAINS; DISLOCATIONS; XRD;
1499 URL = "http://link.aip.org/link/?JAP/78/1271/1",
1500 doi = "10.1063/1.360368",
1501 notes = "3c-sic on 6h-sic, cvd, reduced temperature",
1505 title = "Epitaxial growth of Si{C} thin films on Si-stabilized
1506 [alpha]-Si{C}(0001) at low temperatures by solid-source
1507 molecular beam epitaxy",
1508 journal = "Journal of Crystal Growth",
1514 doi = "DOI: 10.1016/0022-0248(95)00170-0",
1515 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3Y5MMXM-1N/2/65549019b878bf02d5ec645b7eea9e98",
1516 author = "A. Fissel and U. Kaiser and E. Ducke and B.
1517 Schr{\"{o}}ter and W. Richter",
1518 notes = "solid source mbe of 3c-sic on si and 6h-sic",
1521 @Article{fissel95_apl,
1522 author = "A. Fissel and B. Schr{\"{o}}ter and W. Richter",
1524 title = "Low-temperature growth of Si{C} thin films on Si and
1525 6{H}--Si{C} by solid-source molecular beam epitaxy",
1528 journal = "Applied Physics Letters",
1531 pages = "3182--3184",
1532 keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
1534 URL = "http://link.aip.org/link/?APL/66/3182/1",
1535 doi = "10.1063/1.113716",
1536 notes = "mbe 3c-sic on si and 6h-sic",
1540 author = "J. A. Borders and S. T. Picraux and W. Beezhold",
1542 title = "{FORMATION} {OF} Si{C} {IN} {SILICON} {BY} {ION}
1546 journal = "Applied Physics Letters",
1550 URL = "http://link.aip.org/link/?APL/18/509/1",
1551 doi = "10.1063/1.1653516",
1552 notes = "first time sic by ibs, follow cites for precipitation
1557 author = "K. J. Reeson and P. L. F. Hemment and J. Stoemenos and
1558 J. Davis and G. E. Celler",
1560 title = "Formation of buried layers of beta-Si{C} using ion
1561 beam synthesis and incoherent lamp annealing",
1564 journal = "Applied Physics Letters",
1567 pages = "2242--2244",
1568 keywords = "SILICON CARBIDES; FILM GROWTH; SOLIDPHASE EPITAXY; ION
1569 IMPLANTATION; CARBON IONS; DOPING PROFILES; SYNTHESIS",
1570 URL = "http://link.aip.org/link/?APL/51/2242/1",
1571 doi = "10.1063/1.98953",
1572 notes = "nice tem images, sic by ibs",
1576 author = "R. I. Scace and G. A. Slack",
1578 title = "Solubility of Carbon in Silicon and Germanium",
1581 journal = "The Journal of Chemical Physics",
1584 pages = "1551--1555",
1585 URL = "http://link.aip.org/link/?JCP/30/1551/1",
1586 doi = "10.1063/1.1730236",
1587 notes = "solubility of c in c-si, si-c phase diagram",
1591 author = "N. E. B. Cowern and A. Cacciato and J. S. Custer and
1592 F. W. Saris and W. Vandervorst",
1594 title = "Role of {C} and {B} clusters in transient diffusion of
1598 journal = "Applied Physics Letters",
1601 pages = "1150--1152",
1602 keywords = "ATOMIC CLUSTERS; BORON ADDITIONS; CRYSTAL DOPING;
1603 DIFFUSION; DOPED MATERIALS; IMPURITIES; INTERSTITIALS;
1605 URL = "http://link.aip.org/link/?APL/68/1150/1",
1606 doi = "10.1063/1.115706",
1607 notes = "suppression of transient enhanced diffusion (ted)",
1611 title = "Implantation and transient boron diffusion: the role
1612 of the silicon self-interstitial",
1613 journal = "Nuclear Instruments and Methods in Physics Research
1614 Section B: Beam Interactions with Materials and Atoms",
1619 note = "Selected Papers of the Tenth International Conference
1620 on Ion Implantation Technology (IIT '94)",
1622 doi = "DOI: 10.1016/0168-583X(94)00481-1",
1623 URL = "http://www.sciencedirect.com/science/article/B6TJN-40WKY1P-29/2/602c6e5b809221323d2d2968edd0a71c",
1624 author = "P. A. Stolk and H. -J. Gossmann and D. J. Eaglesham
1629 author = "P. A. Stolk and H.-J. Gossmann and D. J. Eaglesham and
1630 D. C. Jacobson and C. S. Rafferty and G. H. Gilmer and
1631 M. Jara\'{\i}z and J. M. Poate and H. S. Luftman and T.
1634 title = "Physical mechanisms of transient enhanced dopant
1635 diffusion in ion-implanted silicon",
1638 journal = "Journal of Applied Physics",
1641 pages = "6031--6050",
1642 URL = "http://link.aip.org/link/?JAP/81/6031/1",
1643 doi = "10.1063/1.364452",
1644 notes = "ted, transient enhanced diffusion, c silicon trap",
1648 author = "A. R. Powell and F. K. LeGoues and S. S. Iyer",
1650 title = "Formation of beta-Si{C} nanocrystals by the relaxation
1651 of Si[sub 1 - y]{C}[sub y] random alloy layers",
1654 journal = "Applied Physics Letters",
1658 keywords = "SILICON CARBIDES; NANOSTRUCTURES; DISPERSIONS;
1659 EPITAXIAL LAYERS; STRESS RELAXATION; ANNEALING;
1660 TEMPERATURE EFFECTS; PRECIPITATION; DISLOCATIONS;
1662 URL = "http://link.aip.org/link/?APL/64/324/1",
1663 doi = "10.1063/1.111195",
1664 notes = "beta sic nano crystals in si, mbe, annealing",
1668 author = "Richard A. Soref",
1670 title = "Optical band gap of the ternary semiconductor Si[sub 1
1671 - x - y]Ge[sub x]{C}[sub y]",
1674 journal = "Journal of Applied Physics",
1677 pages = "2470--2472",
1678 keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; ENERGY GAP;
1679 OPTICAL PROPERTIES; DIAMONDS; SEMICONDUCTOR ALLOYS;
1681 URL = "http://link.aip.org/link/?JAP/70/2470/1",
1682 doi = "10.1063/1.349403",
1683 notes = "band gap of strained si by c",
1687 author = "E Kasper",
1688 title = "Superlattices of group {IV} elements, a new
1689 possibility to produce direct band gap material",
1690 journal = "Physica Scripta",
1693 URL = "http://stacks.iop.org/1402-4896/T35/232",
1695 notes = "superlattices, convert indirect band gap into a
1700 author = "H. J. Osten and J. Griesche and S. Scalese",
1702 title = "Substitutional carbon incorporation in epitaxial
1703 Si[sub 1 - y]{C}[sub y] alloys on Si(001) grown by
1704 molecular beam epitaxy",
1707 journal = "Applied Physics Letters",
1711 keywords = "molecular beam epitaxial growth; semiconductor growth;
1712 wide band gap semiconductors; interstitials; silicon
1714 URL = "http://link.aip.org/link/?APL/74/836/1",
1715 doi = "10.1063/1.123384",
1716 notes = "substitutional c in si",
1719 @Article{hohenberg64,
1720 title = "Inhomogeneous Electron Gas",
1721 author = "P. Hohenberg and W. Kohn",
1722 journal = "Phys. Rev.",
1725 pages = "B864--B871",
1729 doi = "10.1103/PhysRev.136.B864",
1730 publisher = "American Physical Society",
1731 notes = "density functional theory, dft",
1735 title = "Self-Consistent Equations Including Exchange and
1736 Correlation Effects",
1737 author = "W. Kohn and L. J. Sham",
1738 journal = "Phys. Rev.",
1741 pages = "A1133--A1138",
1745 doi = "10.1103/PhysRev.140.A1133",
1746 publisher = "American Physical Society",
1747 notes = "dft, exchange and correlation",
1751 title = "Strain-stabilized highly concentrated pseudomorphic
1752 $Si1-x$$Cx$ layers in Si",
1753 author = "H. R{\"u}cker and M. Methfessel and E. Bugiel and H.
1755 journal = "Phys. Rev. Lett.",
1758 pages = "3578--3581",
1762 doi = "10.1103/PhysRevLett.72.3578",
1763 publisher = "American Physical Society",
1764 notes = "high c concentration in si, heterostructure, starined
1769 title = "Electron Transport Model for Strained Silicon-Carbon
1771 author = "Shu-Tong Chang and Chung-Yi Lin",
1772 journal = "Japanese Journal of Applied Physics",
1775 pages = "2257--2262",
1778 URL = "http://jjap.ipap.jp/link?JJAP/44/2257/",
1779 doi = "10.1143/JJAP.44.2257",
1780 publisher = "The Japan Society of Applied Physics",
1781 notes = "enhance of electron mobility in starined si",
1785 author = "H. J. Osten and P. Gaworzewski",
1787 title = "Charge transport in strained Si[sub 1 - y]{C}[sub y]
1788 and Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloys on
1792 journal = "Journal of Applied Physics",
1795 pages = "4977--4981",
1796 keywords = "silicon compounds; Ge-Si alloys; wide band gap
1797 semiconductors; semiconductor epitaxial layers; carrier
1798 density; Hall mobility; interstitials; defect states",
1799 URL = "http://link.aip.org/link/?JAP/82/4977/1",
1800 doi = "10.1063/1.366364",
1801 notes = "charge transport in strained si",
1805 title = "Carbon-mediated aggregation of self-interstitials in
1806 silicon: {A} large-scale molecular dynamics study",
1807 author = "Sumeet S. Kapur and Manish Prasad and Talid Sinno",
1808 journal = "Phys. Rev. B",
1815 doi = "10.1103/PhysRevB.69.155214",
1816 publisher = "American Physical Society",
1817 notes = "simulation using promising tersoff reparametrization",
1821 title = "Event-Based Relaxation of Continuous Disordered
1823 author = "G. T. Barkema and Normand Mousseau",
1824 journal = "Phys. Rev. Lett.",
1827 pages = "4358--4361",
1831 doi = "10.1103/PhysRevLett.77.4358",
1832 publisher = "American Physical Society",
1833 notes = "activation relaxation technique, art, speed up slow
1838 author = "E. Canc\`{e}s and F. Legoll and M.-C. Marinica and K.
1839 Minoukadeh and F. Willaime",
1841 title = "Some improvements of the activation-relaxation
1842 technique method for finding transition pathways on
1843 potential energy surfaces",
1846 journal = "The Journal of Chemical Physics",
1852 keywords = "eigenvalues and eigenfunctions; iron; potential energy
1853 surfaces; vacancies (crystal)",
1854 URL = "http://link.aip.org/link/?JCP/130/114711/1",
1855 doi = "10.1063/1.3088532",
1856 notes = "improvements to art, refs for methods to find
1857 transition pathways",
1860 @Article{parrinello81,
1861 author = "M. Parrinello and A. Rahman",
1863 title = "Polymorphic transitions in single crystals: {A} new
1864 molecular dynamics method",
1867 journal = "Journal of Applied Physics",
1870 pages = "7182--7190",
1871 keywords = "MONOCRYSTALS; PHASE TRANSFORMATIONS; STRUCTURAL
1872 MODELS; DYNAMICS; THEORETICAL DATA; STRESSES;
1873 CONFIGURATION; LAGRANGE EQUATIONS; SIZE; NICKEL;
1874 COMPRESSION; TENSILE PROPERTIES; COMPARATIVE
1875 EVALUATIONS; STRAINS; CUBIC LATTICES; HCP LATTICES;
1877 URL = "http://link.aip.org/link/?JAP/52/7182/1",
1878 doi = "10.1063/1.328693",
1881 @Article{stillinger85,
1882 title = "Computer simulation of local order in condensed phases
1884 author = "Frank H. Stillinger and Thomas A. Weber",
1885 journal = "Phys. Rev. B",
1888 pages = "5262--5271",
1892 doi = "10.1103/PhysRevB.31.5262",
1893 publisher = "American Physical Society",
1897 title = "Empirical potential for hydrocarbons for use in
1898 simulating the chemical vapor deposition of diamond
1900 author = "Donald W. Brenner",
1901 journal = "Phys. Rev. B",
1904 pages = "9458--9471",
1908 doi = "10.1103/PhysRevB.42.9458",
1909 publisher = "American Physical Society",
1910 notes = "brenner hydro carbons",
1914 title = "Modeling of Covalent Bonding in Solids by Inversion of
1915 Cohesive Energy Curves",
1916 author = "Martin Z. Bazant and Efthimios Kaxiras",
1917 journal = "Phys. Rev. Lett.",
1920 pages = "4370--4373",
1924 doi = "10.1103/PhysRevLett.77.4370",
1925 publisher = "American Physical Society",
1926 notes = "first si edip",
1930 title = "Environment-dependent interatomic potential for bulk
1932 author = "Martin Z. Bazant and Efthimios Kaxiras and J. F.
1934 journal = "Phys. Rev. B",
1937 pages = "8542--8552",
1941 doi = "10.1103/PhysRevB.56.8542",
1942 publisher = "American Physical Society",
1943 notes = "second si edip",
1947 title = "Interatomic potential for silicon defects and
1949 author = "Jo\tilde{a}o F. Justo and Martin Z. Bazant and
1950 Efthimios Kaxiras and V. V. Bulatov and Sidney Yip",
1951 journal = "Phys. Rev. B",
1954 pages = "2539--2550",
1958 doi = "10.1103/PhysRevB.58.2539",
1959 publisher = "American Physical Society",
1960 notes = "latest si edip, good dislocation explanation",
1964 title = "{PARCAS} molecular dynamics code",
1965 author = "K. Nordlund",
1970 title = "Hyperdynamics: Accelerated Molecular Dynamics of
1972 author = "Arthur F. Voter",
1973 journal = "Phys. Rev. Lett.",
1976 pages = "3908--3911",
1980 doi = "10.1103/PhysRevLett.78.3908",
1981 publisher = "American Physical Society",
1982 notes = "hyperdynamics, accelerated md",
1986 author = "Arthur F. Voter",
1988 title = "A method for accelerating the molecular dynamics
1989 simulation of infrequent events",
1992 journal = "The Journal of Chemical Physics",
1995 pages = "4665--4677",
1996 keywords = "COMPUTERIZED SIMULATION; NICKEL; DIFFUSION; ATOM
1997 TRANSPORT; MOLECULAR ORBITAL METHOD; POTENTIAL ENERGY;
1998 SURFACE POTENTIAL; MOLECULAR DYNAMICS METHOD; potential
1999 energy functions; surface diffusion; reaction kinetics
2000 theory; potential energy surfaces",
2001 URL = "http://link.aip.org/link/?JCP/106/4665/1",
2002 doi = "10.1063/1.473503",
2003 notes = "improved hyperdynamics md",
2006 @Article{sorensen2000,
2007 author = "Mads R. S\o rensen and Arthur F. Voter",
2009 title = "Temperature-accelerated dynamics for simulation of
2013 journal = "The Journal of Chemical Physics",
2016 pages = "9599--9606",
2017 keywords = "SOLID STATE PHYSICS; SIMULATION; DIFFUSION; SURFACES;
2018 MOLECULAR DYNAMICS METHOD; surface diffusion",
2019 URL = "http://link.aip.org/link/?JCP/112/9599/1",
2020 doi = "10.1063/1.481576",
2021 notes = "temperature accelerated dynamics, tad",
2025 title = "Parallel replica method for dynamics of infrequent
2027 author = "Arthur F. Voter",
2028 journal = "Phys. Rev. B",
2031 pages = "R13985--R13988",
2035 doi = "10.1103/PhysRevB.57.R13985",
2036 publisher = "American Physical Society",
2037 notes = "parallel replica method, accelerated md",
2041 author = "Xiongwu Wu and Shaomeng Wang",
2043 title = "Enhancing systematic motion in molecular dynamics
2047 journal = "The Journal of Chemical Physics",
2050 pages = "9401--9410",
2051 keywords = "molecular dynamics method; argon; Lennard-Jones
2052 potential; crystallisation; liquid theory",
2053 URL = "http://link.aip.org/link/?JCP/110/9401/1",
2054 doi = "10.1063/1.478948",
2055 notes = "self guided md, sgmd, accelerated md, enhancing
2059 @Article{choudhary05,
2060 author = "Devashish Choudhary and Paulette Clancy",
2062 title = "Application of accelerated molecular dynamics schemes
2063 to the production of amorphous silicon",
2066 journal = "The Journal of Chemical Physics",
2072 keywords = "molecular dynamics method; silicon; glass structure;
2073 amorphous semiconductors",
2074 URL = "http://link.aip.org/link/?JCP/122/154509/1",
2075 doi = "10.1063/1.1878733",
2076 notes = "explanation of sgmd and hyper md, applied to amorphous
2081 author = "W. J. Taylor and T. Y. Tan and U. G{\"{o}}sele",
2083 title = "Carbon precipitation in silicon: Why is it so
2087 journal = "Applied Physics Letters",
2090 pages = "3336--3338",
2091 keywords = "SILICON; CARBON ADDITIONS; OXYGEN ADDITIONS; DOPED
2092 MATERIALS; PRECIPITATION; THERMODYNAMICS; SURFACE
2094 URL = "http://link.aip.org/link/?APL/62/3336/1",
2095 doi = "10.1063/1.109063",
2096 notes = "interfacial energy of cubic sic and si",
2099 @Article{chaussende08,
2100 title = "Prospects for 3{C}-Si{C} bulk crystal growth",
2101 journal = "Journal of Crystal Growth",
2106 note = "Proceedings of the E-MRS Conference, Symposium G -
2107 Substrates of Wide Bandgap Materials",
2109 doi = "DOI: 10.1016/j.jcrysgro.2007.11.140",
2110 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4R7J67S-F/2/e92fc194b652409f5b119393d608b082",
2111 author = "D. Chaussende and F. Mercier and A. Boulle and F.
2112 Conchon and M. Soueidan and G. Ferro and A. Mantzari
2113 and A. Andreadou and E. K. Polychroniadis and C.
2114 Balloud and S. Juillaguet and J. Camassel and M. Pons",
2115 notes = "3c-sic crystal growth, sic fabrication + links,
2120 title = "Forces in Molecules",
2121 author = "R. P. Feynman",
2122 journal = "Phys. Rev.",
2129 doi = "10.1103/PhysRev.56.340",
2130 publisher = "American Physical Society",
2131 notes = "hellmann feynman forces",
2135 title = "Bonding Arrangements at the $Si-Si{O}_{2}$ and
2136 $Si{C}-Si{O}_{2}$ Interfaces and a Possible Origin of
2137 their Contrasting Properties",
2138 author = "Ryszard Buczko and Stephen J. Pennycook and Sokrates
2140 journal = "Phys. Rev. Lett.",
2147 doi = "10.1103/PhysRevLett.84.943",
2148 publisher = "American Physical Society",
2149 notes = "si sio2 and sic sio2 interface",
2152 @Article{djurabekova08,
2153 title = "Atomistic simulation of the interface structure of Si
2154 nanocrystals embedded in amorphous silica",
2155 author = "Flyura Djurabekova and Kai Nordlund",
2156 journal = "Phys. Rev. B",
2163 doi = "10.1103/PhysRevB.77.115325",
2164 publisher = "American Physical Society",
2165 notes = "nc-si in sio2, interface energy, nc construction,
2166 angular distribution, coordination",
2170 author = "C. Wen and Y. M. Wang and W. Wan and F. H. Li and J.
2171 W. Liang and J. Zou",
2173 title = "Nature of interfacial defects and their roles in
2174 strain relaxation at highly lattice mismatched
2175 3{C}-Si{C}/Si (001) interface",
2178 journal = "Journal of Applied Physics",
2184 keywords = "anelastic relaxation; crystal structure; dislocations;
2185 elemental semiconductors; semiconductor growth;
2186 semiconductor thin films; silicon; silicon compounds;
2187 stacking faults; wide band gap semiconductors",
2188 URL = "http://link.aip.org/link/?JAP/106/073522/1",
2189 doi = "10.1063/1.3234380",
2190 notes = "sic/si interface, follow refs, tem image
2191 deconvolution, dislocation defects",
2194 @Article{kitabatake93,
2195 author = "Makoto Kitabatake and Masahiro Deguchi and Takashi
2198 title = "Simulations and experiments of Si{C} heteroepitaxial
2199 growth on Si(001) surface",
2202 journal = "Journal of Applied Physics",
2205 pages = "4438--4445",
2206 keywords = "SILICON CARBIDES; FILM GROWTH; SIMULATION; MOLECULAR
2207 BEAM EPITAXY; MOLECULAR DYNAMICS CALCULATIONS; SILICON;
2208 MICROSTRUCTURE; ULTRAVIOLET RADIATION; IRRADIATION",
2209 URL = "http://link.aip.org/link/?JAP/74/4438/1",
2210 doi = "10.1063/1.354385",
2211 notes = "mbe and md of sic growth on si, 4 to 5 shrinkage
2216 title = "Strain relaxation and thermal stability of the
2217 3{C}-Si{C}(001)/Si(001) interface: {A} molecular
2219 journal = "Thin Solid Films",
2226 doi = "DOI: 10.1016/S0040-6090(96)09257-7",
2227 URL = "http://www.sciencedirect.com/science/article/B6TW0-41WBB52-C/2/6ef684a04d02dd3b108f972377cde8f4",
2228 author = "V. Chirita and L. Hultman and L. R. Wallenberg",
2229 keywords = "Strain relaxation",
2230 keywords = "Interfaces",
2231 keywords = "Thermal stability",
2232 keywords = "Molecular dynamics",
2233 notes = "tersoff sic/si interface study",
2237 title = "Ab initio Study of Misfit Dislocations at the
2238 $Si{C}/Si(001)$ Interface",
2239 author = "Giancarlo Cicero and Laurent Pizzagalli and Alessandra
2241 journal = "Phys. Rev. Lett.",
2248 doi = "10.1103/PhysRevLett.89.156101",
2249 publisher = "American Physical Society",
2250 notes = "sic/si interface study",
2253 @Article{pizzagalli03,
2254 title = "Theoretical investigations of a highly mismatched
2255 interface: Si{C}/Si(001)",
2256 author = "Laurent Pizzagalli and Giancarlo Cicero and Alessandra
2258 journal = "Phys. Rev. B",
2265 doi = "10.1103/PhysRevB.68.195302",
2266 publisher = "American Physical Society",
2267 notes = "tersoff md and ab initio sic/si interface study",
2271 title = "Atomic configurations of dislocation core and twin
2272 boundaries in $ 3{C}-Si{C} $ studied by high-resolution
2273 electron microscopy",
2274 author = "C. Y. Tang and F. H. Li and R. Wang and J. Zou and X.
2275 H. Zheng and J. W. Liang",
2276 journal = "Phys. Rev. B",
2283 doi = "10.1103/PhysRevB.75.184103",
2284 publisher = "American Physical Society",
2285 notes = "hrem image deconvolution on 3c-sic on si, distinguish
2289 @Article{hornstra58,
2290 title = "Dislocations in the diamond lattice",
2291 journal = "Journal of Physics and Chemistry of Solids",
2298 doi = "DOI: 10.1016/0022-3697(58)90138-0",
2299 URL = "http://www.sciencedirect.com/science/article/B6TXR-46MMPHJ-10D/2/7176c01c29cd4e73faa26ab2aacdcea5",
2300 author = "J. Hornstra",
2301 notes = "dislocations in diamond lattice",
2304 @Article{eichhorn99,
2305 author = "F. Eichhorn and N. Schell and W. Matz and R.
2308 title = "Strain and Si{C} particle formation in silicon
2309 implanted with carbon ions of medium fluence studied by
2310 synchrotron x-ray diffraction",
2313 journal = "Journal of Applied Physics",
2316 pages = "4184--4187",
2317 keywords = "silicon; carbon; elemental semiconductors; chemical
2318 interdiffusion; ion implantation; X-ray diffraction;
2319 precipitation; semiconductor doping",
2320 URL = "http://link.aip.org/link/?JAP/86/4184/1",
2321 doi = "10.1063/1.371344",
2322 notes = "sic conversion by ibs, detected substitutional carbon,
2323 expansion of si lattice",
2326 @Article{eichhorn02,
2327 author = "F. Eichhorn and N. Schell and A. M{\"{u}}cklich and H.
2328 Metzger and W. Matz and R. K{\"{o}}gler",
2330 title = "Structural relation between Si and Si{C} formed by
2331 carbon ion implantation",
2334 journal = "Journal of Applied Physics",
2337 pages = "1287--1292",
2338 keywords = "silicon compounds; wide band gap semiconductors; ion
2339 implantation; annealing; X-ray scattering; transmission
2340 electron microscopy",
2341 URL = "http://link.aip.org/link/?JAP/91/1287/1",
2342 doi = "10.1063/1.1428105",
2343 notes = "3c-sic alignement to si host in ibs depending on
2344 temperature, might explain c int to c sub trafo",
2348 author = "G Lucas and M Bertolus and L Pizzagalli",
2349 title = "An environment-dependent interatomic potential for
2350 silicon carbide: calculation of bulk properties,
2351 high-pressure phases, point and extended defects, and
2352 amorphous structures",
2353 journal = "Journal of Physics: Condensed Matter",
2357 URL = "http://stacks.iop.org/0953-8984/22/i=3/a=035802",
2363 author = "J Godet and L Pizzagalli and S Brochard and P
2365 title = "Comparison between classical potentials and ab initio
2366 methods for silicon under large shear",
2367 journal = "Journal of Physics: Condensed Matter",
2371 URL = "http://stacks.iop.org/0953-8984/15/i=41/a=004",
2373 notes = "comparison of empirical potentials, stillinger weber,
2374 edip, tersoff, ab initio",
2377 @Article{moriguchi98,
2378 title = "Verification of Tersoff's Potential for Static
2379 Structural Analysis of Solids of Group-{IV} Elements",
2380 author = "Koji Moriguchi and Akira Shintani",
2381 journal = "Japanese Journal of Applied Physics",
2383 number = "Part 1, No. 2",
2387 URL = "http://jjap.ipap.jp/link?JJAP/37/414/",
2388 doi = "10.1143/JJAP.37.414",
2389 publisher = "The Japan Society of Applied Physics",
2390 notes = "tersoff stringent test",
2393 @Article{mazzarolo01,
2394 title = "Low-energy recoils in crystalline silicon: Quantum
2396 author = "Massimiliano Mazzarolo and Luciano Colombo and Giorgio
2397 Lulli and Eros Albertazzi",
2398 journal = "Phys. Rev. B",
2405 doi = "10.1103/PhysRevB.63.195207",
2406 publisher = "American Physical Society",
2409 @Article{holmstroem08,
2410 title = "Threshold defect production in silicon determined by
2411 density functional theory molecular dynamics
2413 author = "E. Holmstr{\"o}m and A. Kuronen and K. Nordlund",
2414 journal = "Phys. Rev. B",
2421 doi = "10.1103/PhysRevB.78.045202",
2422 publisher = "American Physical Society",
2423 notes = "threshold displacement comparison empirical and ab
2427 @Article{nordlund97,
2428 title = "Repulsive interatomic potentials calculated using
2429 Hartree-Fock and density-functional theory methods",
2430 journal = "Nuclear Instruments and Methods in Physics Research
2431 Section B: Beam Interactions with Materials and Atoms",
2438 doi = "DOI: 10.1016/S0168-583X(97)00447-3",
2439 URL = "http://www.sciencedirect.com/science/article/B6TJN-4CP0TGF-91/2/1a9100c0aae82d2d258fc83dfdba23c1",
2440 author = "K. Nordlund and N. Runeberg and D. Sundholm",
2441 notes = "repulsive ab initio potential",
2445 title = "Efficiency of ab-initio total energy calculations for
2446 metals and semiconductors using a plane-wave basis
2448 journal = "Computational Materials Science",
2455 doi = "DOI: 10.1016/0927-0256(96)00008-0",
2456 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74",
2457 author = "G. Kresse and J. Furthm{\"{u}}ller",
2462 title = "Projector augmented-wave method",
2463 author = "P. E. Bl{\"o}chl",
2464 journal = "Phys. Rev. B",
2467 pages = "17953--17979",
2471 doi = "10.1103/PhysRevB.50.17953",
2472 publisher = "American Physical Society",
2473 notes = "paw method",
2477 title = "Norm-Conserving Pseudopotentials",
2478 author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
2479 journal = "Phys. Rev. Lett.",
2482 pages = "1494--1497",
2486 doi = "10.1103/PhysRevLett.43.1494",
2487 publisher = "American Physical Society",
2488 notes = "norm-conserving pseudopotentials",
2491 @Article{vanderbilt90,
2492 title = "Soft self-consistent pseudopotentials in a generalized
2493 eigenvalue formalism",
2494 author = "David Vanderbilt",
2495 journal = "Phys. Rev. B",
2498 pages = "7892--7895",
2502 doi = "10.1103/PhysRevB.41.7892",
2503 publisher = "American Physical Society",
2504 notes = "vasp pseudopotentials",
2508 title = "Accurate and simple density functional for the
2509 electronic exchange energy: Generalized gradient
2511 author = "John P. Perdew and Wang Yue",
2512 journal = "Phys. Rev. B",
2515 pages = "8800--8802",
2519 doi = "10.1103/PhysRevB.33.8800",
2520 publisher = "American Physical Society",
2521 notes = "rapid communication gga",
2525 title = "Generalized gradient approximations for exchange and
2526 correlation: {A} look backward and forward",
2527 journal = "Physica B: Condensed Matter",
2534 doi = "DOI: 10.1016/0921-4526(91)90409-8",
2535 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8GR9-3D/2/18e610a616e4d80b934079c89063ece7",
2536 author = "John P. Perdew",
2537 notes = "gga overview",
2541 title = "Atoms, molecules, solids, and surfaces: Applications
2542 of the generalized gradient approximation for exchange
2544 author = "John P. Perdew and J. A. Chevary and S. H. Vosko and
2545 Koblar A. Jackson and Mark R. Pederson and D. J. Singh
2546 and Carlos Fiolhais",
2547 journal = "Phys. Rev. B",
2550 pages = "6671--6687",
2554 doi = "10.1103/PhysRevB.46.6671",
2555 publisher = "American Physical Society",
2556 notes = "gga pw91 (as in vasp)",
2559 @Article{baldereschi73,
2560 title = "Mean-Value Point in the Brillouin Zone",
2561 author = "A. Baldereschi",
2562 journal = "Phys. Rev. B",
2565 pages = "5212--5215",
2569 doi = "10.1103/PhysRevB.7.5212",
2570 publisher = "American Physical Society",
2571 notes = "mean value k point",
2575 title = "Ab initio pseudopotential calculations of dopant
2577 journal = "Computational Materials Science",
2584 doi = "DOI: 10.1016/S0927-0256(98)00023-8",
2585 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VB7F2K-7/2/aa864582273be8e054300efb7bd16a1b",
2586 author = "Jing Zhu",
2587 keywords = "TED (transient enhanced diffusion)",
2588 keywords = "Boron dopant",
2589 keywords = "Carbon dopant",
2590 keywords = "Defect",
2591 keywords = "ab initio pseudopotential method",
2592 keywords = "Impurity cluster",
2593 notes = "binding of c to si interstitial, c in si defects",
2597 author = "A. Nejim and P. L. F. Hemment and J. Stoemenos",
2599 title = "Si{C} buried layer formation by ion beam synthesis at
2603 journal = "Applied Physics Letters",
2606 pages = "2646--2648",
2607 keywords = "SILICON; ION IMPLANTATION; CARBON IONS; SILICON
2608 CARBIDES; BURIED LAYERS; SYNTHESIS; KEV RANGE 100 --
2609 1000; CRYSTAL DEFECTS; MORPHOLOGY; RBS; TRANSMISSION
2610 ELECTRON MICROSCOPY",
2611 URL = "http://link.aip.org/link/?APL/66/2646/1",
2612 doi = "10.1063/1.113112",
2613 notes = "precipitation mechanism by substitutional carbon, si
2614 self interstitials react with further implanted c",
2618 author = "C. Guedj and M. W. Dashiell and L. Kulik and J.
2619 Kolodzey and A. Hairie",
2621 title = "Precipitation of beta-Si{C} in Si[sub 1 - y]{C}[sub y]
2625 journal = "Journal of Applied Physics",
2628 pages = "4631--4633",
2629 keywords = "silicon compounds; precipitation; localised modes;
2630 semiconductor epitaxial layers; infrared spectra;
2631 Fourier transform spectra; thermal stability;
2633 URL = "http://link.aip.org/link/?JAP/84/4631/1",
2634 doi = "10.1063/1.368703",
2635 notes = "coherent 3C-SiC, topotactic, critical coherence size",
2639 author = "R Jones and B J Coomer and P R Briddon",
2640 title = "Quantum mechanical modelling of defects in
2642 journal = "Journal of Physics: Condensed Matter",
2646 URL = "http://stacks.iop.org/0953-8984/16/i=27/a=004",
2648 notes = "ab inito init, vibrational modes, c defect in si",
2652 author = "S. Y. Park and J. D'Arcy-Gall and D. Gall and J. A. N.
2653 T Soares and Y.-W. Kim and H. Kim and P. Desjardins and
2654 J. E. Greene and S. G. Bishop",
2656 title = "Carbon incorporation pathways and lattice sites in
2657 Si[sub 1 - y]{C}[sub y] alloys grown on Si(001) by
2658 molecular-beam epitaxy",
2661 journal = "Journal of Applied Physics",
2664 pages = "5716--5727",
2665 URL = "http://link.aip.org/link/?JAP/91/5716/1",
2666 doi = "10.1063/1.1465122",
2667 notes = "c substitutional incorporation pathway, dft and expt",
2671 title = "Dynamic properties of interstitial carbon and
2672 carbon-carbon pair defects in silicon",
2673 author = "P. Leary and R. Jones and S. {\"O}berg and V. J. B.
2675 journal = "Phys. Rev. B",
2678 pages = "2188--2194",
2682 doi = "10.1103/PhysRevB.55.2188",
2683 publisher = "American Physical Society",
2684 notes = "ab initio c in si and di-carbon defect, no formation
2685 energies, different migration barriers and paths",
2689 title = "Interstitial carbon and the carbon-carbon pair in
2690 silicon: Semiempirical electronic-structure
2692 author = "Matthew J. Burnard and Gary G. DeLeo",
2693 journal = "Phys. Rev. B",
2696 pages = "10217--10225",
2700 doi = "10.1103/PhysRevB.47.10217",
2701 publisher = "American Physical Society",
2702 notes = "semi empirical mndo, pm3 and mindo3 c in si and di
2703 carbon defect, formation energies",
2707 title = "Review of atomistic simulations of surface diffusion
2708 and growth on semiconductors",
2709 journal = "Computational Materials Science",
2714 note = "Proceedings of the Workshop on Virtual Molecular Beam
2717 doi = "DOI: 10.1016/0927-0256(96)00030-4",
2718 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VSFF1G-7/2/afc8408b00ded1ca2dc3ad1686c2dae6",
2719 author = "Efthimios Kaxiras",
2720 notes = "might contain c 100 db formation energy, overview md,
2721 tight binding, first principles",
2724 @Article{kaukonen98,
2725 title = "Effect of {N} and {B} doping on the growth of {CVD}
2727 $(100):{H}(2\ifmmode\times\else\texttimes\fi{}1)$
2729 author = "M. Kaukonen and P. K. Sitch and G. Jungnickel and R.
2730 M. Nieminen and Sami P{\"o}ykk{\"o} and D. Porezag and
2732 journal = "Phys. Rev. B",
2735 pages = "9965--9970",
2739 doi = "10.1103/PhysRevB.57.9965",
2740 publisher = "American Physical Society",
2741 notes = "constrained conjugate gradient relaxation technique
2746 title = "Correlation between the antisite pair and the ${DI}$
2748 author = "A. Gali and P. De\'ak and E. Rauls and N. T. Son and
2749 I. G. Ivanov and F. H. C. Carlsson and E. Janz\'en and
2751 journal = "Phys. Rev. B",
2758 doi = "10.1103/PhysRevB.67.155203",
2759 publisher = "American Physical Society",
2763 title = "Production and recovery of defects in Si{C} after
2764 irradiation and deformation",
2765 journal = "Journal of Nuclear Materials",
2768 pages = "1803--1808",
2772 doi = "DOI: 10.1016/S0022-3115(98)00139-1",
2773 URL = "http://www.sciencedirect.com/science/article/B6TXN-43G486N-47/2/56905f48f025ab98e5de4d6cde09c62b",
2774 author = "J. Chen and P. Jung and H. Klein",
2778 title = "Accumulation, dynamic annealing and thermal recovery
2779 of ion-beam-induced disorder in silicon carbide",
2780 journal = "Nuclear Instruments and Methods in Physics Research
2781 Section B: Beam Interactions with Materials and Atoms",
2788 doi = "DOI: 10.1016/S0168-583X(00)00542-5",
2789 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KH7Y-2R/2/8acc176700c95bb8614d96c40cfc5577",
2790 author = "W. J. Weber and W. Jiang and S. Thevuthasan",
2791 keywords = "Amorphization",
2792 keywords = "Irradiation effects",
2793 keywords = "Thermal recovery",
2794 keywords = "Silicon carbide",
2797 @Article{bockstedte03,
2798 title = "Ab initio study of the migration of intrinsic defects
2800 author = "Michel Bockstedte and Alexander Mattausch and Oleg
2802 journal = "Phys. Rev. B",
2809 doi = "10.1103/PhysRevB.68.205201",
2810 publisher = "American Physical Society",
2811 notes = "defect migration in sic",
2815 title = "Theoretical study of vacancy diffusion and
2816 vacancy-assisted clustering of antisites in Si{C}",
2817 author = "E. Rauls and Th. Frauenheim and A. Gali and P.
2819 journal = "Phys. Rev. B",
2826 doi = "10.1103/PhysRevB.68.155208",
2827 publisher = "American Physical Society",