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,
1029 @Article{zirkelbach09,
1030 title = "Molecular dynamics simulation of defect formation and
1031 precipitation in heavily carbon doped silicon",
1032 journal = "Materials Science and Engineering: B",
1037 note = "EMRS 2008 Spring Conference Symposium K: Advanced
1038 Silicon Materials Research for Electronic and
1039 Photovoltaic Applications",
1041 doi = "DOI: 10.1016/j.mseb.2008.10.010",
1042 URL = "http://www.sciencedirect.com/science/article/B6TXF-4TX1547-2/2/cb9f4921f324735087020ccce7843e39",
1043 author = "F. Zirkelbach and J. K. N. Lindner and K. Nordlund and
1045 keywords = "Silicon",
1046 keywords = "Carbon",
1047 keywords = "Silicon carbide",
1048 keywords = "Nucleation",
1049 keywords = "Defect formation",
1050 keywords = "Molecular dynamics simulations",
1053 @Article{zirkelbach10a,
1054 title = "Defects in Carbon implanted Silicon calculated by
1055 classical potentials and first principles methods",
1056 journal = "to be published",
1061 author = "F. Zirkelbach and B. Stritzker and K. Nordlund and J.
1062 K. N. Lindner and W. G. Schmidtd and E. Rauls",
1065 @Article{zirkelbach10b,
1066 title = "Extensive first principles study of carbon defects in
1068 journal = "to be published",
1073 author = "F. Zirkelbach and B. Stritzker and K. Nordlund and J.
1074 K. N. Lindner and W. G. Schmidtd and E. Rauls",
1077 @Article{zirkelbach10c,
1079 journal = "to be published",
1084 author = "F. Zirkelbach and B. Stritzker and K. Nordlund and J.
1085 K. N. Lindner and W. G. Schmidtd and E. Rauls",
1089 title = "Controlling the density distribution of Si{C}
1090 nanocrystals for the ion beam synthesis of buried Si{C}
1092 journal = "Nuclear Instruments and Methods in Physics Research
1093 Section B: Beam Interactions with Materials and Atoms",
1100 doi = "DOI: 10.1016/S0168-583X(98)00598-9",
1101 URL = "http://www.sciencedirect.com/science/article/B6TJN-3YMWWDY-1H/2/ad53e614f783b2a7474aecb936dd0169",
1102 author = "J. K. N. Lindner and B. Stritzker",
1103 notes = "two-step implantation process",
1106 @Article{lindner99_2,
1107 title = "Mechanisms in the ion beam synthesis of Si{C} layers
1109 journal = "Nuclear Instruments and Methods in Physics Research
1110 Section B: Beam Interactions with Materials and Atoms",
1116 doi = "DOI: 10.1016/S0168-583X(98)00787-3",
1117 URL = "http://www.sciencedirect.com/science/article/B6TJN-3XGFSSH-3H/2/17d138baa6db68cb279e6de9161e5f85",
1118 author = "J. K. N. Lindner and B. Stritzker",
1119 notes = "3c-sic precipitation model, c-si dimers (dumbbells)",
1123 title = "Ion beam synthesis of buried Si{C} layers in silicon:
1124 Basic physical processes",
1125 journal = "Nuclear Instruments and Methods in Physics Research
1126 Section B: Beam Interactions with Materials and Atoms",
1133 doi = "DOI: 10.1016/S0168-583X(01)00504-3",
1134 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KG96-8/2/f222574d8945c3fd7aaf9ae1efdd37b3",
1135 author = "J{\"{o}}rg K. N. Lindner",
1139 title = "High-dose carbon implantations into silicon:
1140 fundamental studies for new technological tricks",
1141 author = "J. K. N. Lindner",
1142 journal = "Appl. Phys. A",
1146 doi = "10.1007/s00339-002-2062-8",
1147 notes = "ibs, burried sic layers",
1151 title = "On the balance between ion beam induced nanoparticle
1152 formation and displacive precipitate resolution in the
1154 journal = "Materials Science and Engineering: C",
1159 note = "Current Trends in Nanoscience - from Materials to
1162 doi = "DOI: 10.1016/j.msec.2005.09.099",
1163 URL = "http://www.sciencedirect.com/science/article/B6TXG-4HSXVVM-1/2/5b0e351198cc2e8f5f4446a80a73d04a",
1164 author = "J. K. N. Lindner and M. Häberlen and G. Thorwarth and
1166 notes = "c int diffusion barrier",
1170 title = "Ion beam synthesis of 3{C}-Si{C} layers in Si and its
1171 application in buffer layer for Ga{N} epitaxial
1173 journal = "Applied Surface Science",
1178 note = "APHYS'03 Special Issue",
1180 doi = "DOI: 10.1016/j.apsusc.2004.05.199",
1181 URL = "http://www.sciencedirect.com/science/article/B6THY-4CTTNGX-B/2/d24ee637db87f3f1a6ef7fe6820f267c",
1182 author = "Y. Ito and T. Yamauchi and A. Yamamoto and M. Sasase
1183 and S. Nishio and K. Yasuda and Y. Ishigami",
1184 notes = "gan on 3c-sic",
1188 author = "B. J. Alder and T. E. Wainwright",
1189 title = "Phase Transition for a Hard Sphere System",
1192 journal = "The Journal of Chemical Physics",
1195 pages = "1208--1209",
1196 URL = "http://link.aip.org/link/?JCP/27/1208/1",
1197 doi = "10.1063/1.1743957",
1201 author = "B. J. Alder and T. E. Wainwright",
1202 title = "Studies in Molecular Dynamics. {I}. General Method",
1205 journal = "The Journal of Chemical Physics",
1209 URL = "http://link.aip.org/link/?JCP/31/459/1",
1210 doi = "10.1063/1.1730376",
1213 @Article{tersoff_si1,
1214 title = "New empirical model for the structural properties of
1216 author = "J. Tersoff",
1217 journal = "Phys. Rev. Lett.",
1224 doi = "10.1103/PhysRevLett.56.632",
1225 publisher = "American Physical Society",
1228 @Article{tersoff_si2,
1229 title = "New empirical approach for the structure and energy of
1231 author = "J. Tersoff",
1232 journal = "Phys. Rev. B",
1235 pages = "6991--7000",
1239 doi = "10.1103/PhysRevB.37.6991",
1240 publisher = "American Physical Society",
1243 @Article{tersoff_si3,
1244 title = "Empirical interatomic potential for silicon with
1245 improved elastic properties",
1246 author = "J. Tersoff",
1247 journal = "Phys. Rev. B",
1250 pages = "9902--9905",
1254 doi = "10.1103/PhysRevB.38.9902",
1255 publisher = "American Physical Society",
1259 title = "Empirical Interatomic Potential for Carbon, with
1260 Applications to Amorphous Carbon",
1261 author = "J. Tersoff",
1262 journal = "Phys. Rev. Lett.",
1265 pages = "2879--2882",
1269 doi = "10.1103/PhysRevLett.61.2879",
1270 publisher = "American Physical Society",
1274 title = "Modeling solid-state chemistry: Interatomic potentials
1275 for multicomponent systems",
1276 author = "J. Tersoff",
1277 journal = "Phys. Rev. B",
1280 pages = "5566--5568",
1284 doi = "10.1103/PhysRevB.39.5566",
1285 publisher = "American Physical Society",
1289 title = "Carbon defects and defect reactions in silicon",
1290 author = "J. Tersoff",
1291 journal = "Phys. Rev. Lett.",
1294 pages = "1757--1760",
1298 doi = "10.1103/PhysRevLett.64.1757",
1299 publisher = "American Physical Society",
1303 title = "Point defects and dopant diffusion in silicon",
1304 author = "P. M. Fahey and P. B. Griffin and J. D. Plummer",
1305 journal = "Rev. Mod. Phys.",
1312 doi = "10.1103/RevModPhys.61.289",
1313 publisher = "American Physical Society",
1317 title = "Silicon carbide: synthesis and processing",
1318 journal = "Nuclear Instruments and Methods in Physics Research
1319 Section B: Beam Interactions with Materials and Atoms",
1324 note = "Radiation Effects in Insulators",
1326 doi = "DOI: 10.1016/0168-583X(96)00065-1",
1327 URL = "http://www.sciencedirect.com/science/article/B6TJN-3VXHNFT-C7/2/4216cb1ec9e422c22de5fed7360fb06e",
1328 author = "W. Wesch",
1332 author = "H. Morko\c{c} and S. Strite and G. B. Gao and M. E.
1333 Lin and B. Sverdlov and M. Burns",
1335 title = "Large-band-gap Si{C}, {III}-{V} nitride, and {II}-{VI}
1336 ZnSe-based semiconductor device technologies",
1339 journal = "Journal of Applied Physics",
1342 pages = "1363--1398",
1343 keywords = "SEMICONDUCTOR DEVICES; SILICON CARBIDES; GALLIUM
1344 NITRIDES; ZINC SELENIDES; SUBSTRATES; MOS JUNCTIONS;
1345 LASER MATERIALS; MATERIALS; REVIEWS; ENERGY GAP; THIN
1347 URL = "http://link.aip.org/link/?JAP/76/1363/1",
1348 doi = "10.1063/1.358463",
1349 notes = "sic intro, properties",
1353 author = "P. G. Neudeck",
1354 title = "{PROGRESS} {IN} {SILICON}-{CARBIDE} {SEMICONDUCTOR}
1355 {ELECTRONICS} {TECHNOLOGY}",
1356 journal = "Journal of Electronic Materials",
1365 author = "Noch Unbekannt",
1366 title = "How to find references",
1367 journal = "Journal of Applied References",
1374 title = "Atomistic simulation of thermomechanical properties of
1376 author = "Meijie Tang and Sidney Yip",
1377 journal = "Phys. Rev. B",
1380 pages = "15150--15159",
1383 doi = "10.1103/PhysRevB.52.15150",
1384 notes = "modified tersoff, scale cutoff with volume, promising
1385 tersoff reparametrization",
1386 publisher = "American Physical Society",
1390 title = "Silicon carbide as a new {MEMS} technology",
1391 journal = "Sensors and Actuators A: Physical",
1397 doi = "DOI: 10.1016/S0924-4247(99)00335-0",
1398 URL = "http://www.sciencedirect.com/science/article/B6THG-406VM55-13/2/75385a587669b215d9ef88029a93fd59",
1399 author = "Pasqualina M. Sarro",
1401 keywords = "Silicon carbide",
1402 keywords = "Micromachining",
1403 keywords = "Mechanical stress",
1407 title = "Status of silicon carbide (Si{C}) as a wide-bandgap
1408 semiconductor for high-temperature applications: {A}
1410 journal = "Solid-State Electronics",
1413 pages = "1409--1422",
1416 doi = "DOI: 10.1016/0038-1101(96)00045-7",
1417 URL = "http://www.sciencedirect.com/science/article/B6TY5-3VSR9J0-1/2/a871c11636e937dc45bfdf48e29f725b",
1418 author = "J. B. Casady and R. W. Johnson",
1419 notes = "sic intro",
1422 @Article{giancarli98,
1423 title = "Design requirements for Si{C}/Si{C} composites
1424 structural material in fusion power reactor blankets",
1425 journal = "Fusion Engineering and Design",
1431 doi = "DOI: 10.1016/S0920-3796(97)00200-7",
1432 URL = "http://www.sciencedirect.com/science/article/B6V3C-3V8RYK8-T/2/16949194114900fd1330f79892d7a7be",
1433 author = "L. Giancarli and J. P. Bonal and A. Caso and G. Le
1434 Marois and N. B. Morley and J. F. Salavy",
1438 title = "Electrical and optical characterization of Si{C}",
1439 journal = "Physica B: Condensed Matter",
1445 doi = "DOI: 10.1016/0921-4526(93)90249-6",
1446 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8HRX-99/2/eab9398bf2bbf10df3ae42c2ab28a776",
1447 author = "G. Pensl and W. J. Choyke",
1451 title = "Investigation of growth processes of ingots of silicon
1452 carbide single crystals",
1453 journal = "Journal of Crystal Growth",
1458 notes = "modified lely process",
1460 doi = "DOI: 10.1016/0022-0248(78)90169-0",
1461 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BY2NR-7S/2/fa6fee78ebd8322491f6366e72d5b6dc",
1462 author = "Yu. M. Tairov and V. F. Tsvetkov",
1466 author = "Shigehiro Nishino and J. Anthony Powell and Herbert A.
1469 title = "Production of large-area single-crystal wafers of
1470 cubic Si{C} for semiconductor devices",
1473 journal = "Applied Physics Letters",
1477 keywords = "silicon carbides; layers; chemical vapor deposition;
1479 URL = "http://link.aip.org/link/?APL/42/460/1",
1480 doi = "10.1063/1.93970",
1481 notes = "cvd of 3c-sic on si, sic buffer layer",
1485 author = "Shigehiro Nishino and Hajime Suhara and Hideyuki Ono
1486 and Hiroyuki Matsunami",
1488 title = "Epitaxial growth and electric characteristics of cubic
1492 journal = "Journal of Applied Physics",
1495 pages = "4889--4893",
1496 URL = "http://link.aip.org/link/?JAP/61/4889/1",
1497 doi = "10.1063/1.338355",
1498 notes = "cvd of 3c-sic on si, sic buffer layer, first time
1503 author = "J. Anthony Powell and Lawrence G. Matus and Maria A.
1505 title = "Growth and Characterization of Cubic Si{C}
1506 Single-Crystal Films on Si",
1509 journal = "Journal of The Electrochemical Society",
1512 pages = "1558--1565",
1513 keywords = "semiconductor materials; silicon compounds; carbon
1514 compounds; crystal morphology; electron mobility",
1515 URL = "http://link.aip.org/link/?JES/134/1558/1",
1516 doi = "10.1149/1.2100708",
1517 notes = "blue light emitting diodes (led)",
1521 author = "Tsunenobu Kimoto and Hironori Nishino and Woo Sik Yoo
1522 and Hiroyuki Matsunami",
1523 title = "Growth mechanism of 6{H}-Si{C} in step-controlled
1527 journal = "Journal of Applied Physics",
1531 keywords = "SILICON CARBIDES; EPITAXY; GROWTH RATE; TEMPERATURE
1532 RANGE 10004000 K; TWINNING; ACTIVATION ENERGY; CHEMICAL
1534 URL = "http://link.aip.org/link/?JAP/73/726/1",
1535 doi = "10.1063/1.353329",
1536 notes = "cvd of 6h-sic on 6h-sic, twinned 3c-sic",
1540 author = "J. A. Powell and D. J. Larkin and L. G. Matus and W.
1541 J. Choyke and J. L. Bradshaw and L. Henderson and M.
1542 Yoganathan and J. Yang and P. Pirouz",
1544 title = "Growth of improved quality 3{C}-Si{C} films on
1545 6{H}-Si{C} substrates",
1548 journal = "Applied Physics Letters",
1551 pages = "1353--1355",
1552 keywords = "SILICON CARBIDES; CHEMICAL VAPOR DEPOSITION; SORPTIVE
1553 PROPERTIES; PHOTOLUMINESCENCE; TRANSMISSION ELECTRON
1554 MICROSCOPY; DEFECT STRUCTURE; STACKING FAULTS; VAPOR
1556 URL = "http://link.aip.org/link/?APL/56/1353/1",
1557 doi = "10.1063/1.102512",
1558 notes = "cvd of 3c-sic on 6h-sic",
1562 author = "C. Yuan and A. J. Steckl and J. Chaudhuri and R.
1563 Thokala and M. J. Loboda",
1565 title = "Reduced temperature growth of crystalline 3{C}-Si{C}
1566 films on 6{H}-Si{C} by chemical vapor deposition from
1570 journal = "Journal of Applied Physics",
1573 pages = "1271--1273",
1574 keywords = "SILICON CARBIDES; THIN FILMS; CVD; EPITAXY; ABSORPTION
1575 EDGE; CRYSTAL STRUCTURE; STRAINS; DISLOCATIONS; XRD;
1577 URL = "http://link.aip.org/link/?JAP/78/1271/1",
1578 doi = "10.1063/1.360368",
1579 notes = "3c-sic on 6h-sic, cvd, reduced temperature",
1583 title = "Epitaxial growth of Si{C} thin films on Si-stabilized
1584 [alpha]-Si{C}(0001) at low temperatures by solid-source
1585 molecular beam epitaxy",
1586 journal = "Journal of Crystal Growth",
1592 doi = "DOI: 10.1016/0022-0248(95)00170-0",
1593 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3Y5MMXM-1N/2/65549019b878bf02d5ec645b7eea9e98",
1594 author = "A. Fissel and U. Kaiser and E. Ducke and B.
1595 Schr{\"{o}}ter and W. Richter",
1596 notes = "solid source mbe of 3c-sic on si and 6h-sic",
1599 @Article{fissel95_apl,
1600 author = "A. Fissel and B. Schr{\"{o}}ter and W. Richter",
1602 title = "Low-temperature growth of Si{C} thin films on Si and
1603 6{H}--Si{C} by solid-source molecular beam epitaxy",
1606 journal = "Applied Physics Letters",
1609 pages = "3182--3184",
1610 keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
1612 URL = "http://link.aip.org/link/?APL/66/3182/1",
1613 doi = "10.1063/1.113716",
1614 notes = "mbe 3c-sic on si and 6h-sic",
1618 author = "J. A. Borders and S. T. Picraux and W. Beezhold",
1620 title = "{FORMATION} {OF} Si{C} {IN} {SILICON} {BY} {ION}
1624 journal = "Applied Physics Letters",
1628 URL = "http://link.aip.org/link/?APL/18/509/1",
1629 doi = "10.1063/1.1653516",
1630 notes = "first time sic by ibs, follow cites for precipitation
1635 author = "K. J. Reeson and P. L. F. Hemment and J. Stoemenos and
1636 J. Davis and G. E. Celler",
1638 title = "Formation of buried layers of beta-Si{C} using ion
1639 beam synthesis and incoherent lamp annealing",
1642 journal = "Applied Physics Letters",
1645 pages = "2242--2244",
1646 keywords = "SILICON CARBIDES; FILM GROWTH; SOLIDPHASE EPITAXY; ION
1647 IMPLANTATION; CARBON IONS; DOPING PROFILES; SYNTHESIS",
1648 URL = "http://link.aip.org/link/?APL/51/2242/1",
1649 doi = "10.1063/1.98953",
1650 notes = "nice tem images, sic by ibs",
1654 author = "R. I. Scace and G. A. Slack",
1656 title = "Solubility of Carbon in Silicon and Germanium",
1659 journal = "The Journal of Chemical Physics",
1662 pages = "1551--1555",
1663 URL = "http://link.aip.org/link/?JCP/30/1551/1",
1664 doi = "10.1063/1.1730236",
1665 notes = "solubility of c in c-si, si-c phase diagram",
1669 author = "N. E. B. Cowern and A. Cacciato and J. S. Custer and
1670 F. W. Saris and W. Vandervorst",
1672 title = "Role of {C} and {B} clusters in transient diffusion of
1676 journal = "Applied Physics Letters",
1679 pages = "1150--1152",
1680 keywords = "ATOMIC CLUSTERS; BORON ADDITIONS; CRYSTAL DOPING;
1681 DIFFUSION; DOPED MATERIALS; IMPURITIES; INTERSTITIALS;
1683 URL = "http://link.aip.org/link/?APL/68/1150/1",
1684 doi = "10.1063/1.115706",
1685 notes = "suppression of transient enhanced diffusion (ted)",
1689 title = "Implantation and transient boron diffusion: the role
1690 of the silicon self-interstitial",
1691 journal = "Nuclear Instruments and Methods in Physics Research
1692 Section B: Beam Interactions with Materials and Atoms",
1697 note = "Selected Papers of the Tenth International Conference
1698 on Ion Implantation Technology (IIT '94)",
1700 doi = "DOI: 10.1016/0168-583X(94)00481-1",
1701 URL = "http://www.sciencedirect.com/science/article/B6TJN-40WKY1P-29/2/602c6e5b809221323d2d2968edd0a71c",
1702 author = "P. A. Stolk and H. -J. Gossmann and D. J. Eaglesham
1707 author = "P. A. Stolk and H.-J. Gossmann and D. J. Eaglesham and
1708 D. C. Jacobson and C. S. Rafferty and G. H. Gilmer and
1709 M. Jara\'{\i}z and J. M. Poate and H. S. Luftman and T.
1712 title = "Physical mechanisms of transient enhanced dopant
1713 diffusion in ion-implanted silicon",
1716 journal = "Journal of Applied Physics",
1719 pages = "6031--6050",
1720 URL = "http://link.aip.org/link/?JAP/81/6031/1",
1721 doi = "10.1063/1.364452",
1722 notes = "ted, transient enhanced diffusion, c silicon trap",
1726 author = "A. R. Powell and F. K. LeGoues and S. S. Iyer",
1728 title = "Formation of beta-Si{C} nanocrystals by the relaxation
1729 of Si[sub 1 - y]{C}[sub y] random alloy layers",
1732 journal = "Applied Physics Letters",
1736 keywords = "SILICON CARBIDES; NANOSTRUCTURES; DISPERSIONS;
1737 EPITAXIAL LAYERS; STRESS RELAXATION; ANNEALING;
1738 TEMPERATURE EFFECTS; PRECIPITATION; DISLOCATIONS;
1740 URL = "http://link.aip.org/link/?APL/64/324/1",
1741 doi = "10.1063/1.111195",
1742 notes = "beta sic nano crystals in si, mbe, annealing",
1746 author = "Richard A. Soref",
1748 title = "Optical band gap of the ternary semiconductor Si[sub 1
1749 - x - y]Ge[sub x]{C}[sub y]",
1752 journal = "Journal of Applied Physics",
1755 pages = "2470--2472",
1756 keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; ENERGY GAP;
1757 OPTICAL PROPERTIES; DIAMONDS; SEMICONDUCTOR ALLOYS;
1759 URL = "http://link.aip.org/link/?JAP/70/2470/1",
1760 doi = "10.1063/1.349403",
1761 notes = "band gap of strained si by c",
1765 author = "E Kasper",
1766 title = "Superlattices of group {IV} elements, a new
1767 possibility to produce direct band gap material",
1768 journal = "Physica Scripta",
1771 URL = "http://stacks.iop.org/1402-4896/T35/232",
1773 notes = "superlattices, convert indirect band gap into a
1778 author = "H. J. Osten and J. Griesche and S. Scalese",
1780 title = "Substitutional carbon incorporation in epitaxial
1781 Si[sub 1 - y]{C}[sub y] alloys on Si(001) grown by
1782 molecular beam epitaxy",
1785 journal = "Applied Physics Letters",
1789 keywords = "molecular beam epitaxial growth; semiconductor growth;
1790 wide band gap semiconductors; interstitials; silicon
1792 URL = "http://link.aip.org/link/?APL/74/836/1",
1793 doi = "10.1063/1.123384",
1794 notes = "substitutional c in si",
1797 @Article{hohenberg64,
1798 title = "Inhomogeneous Electron Gas",
1799 author = "P. Hohenberg and W. Kohn",
1800 journal = "Phys. Rev.",
1803 pages = "B864--B871",
1807 doi = "10.1103/PhysRev.136.B864",
1808 publisher = "American Physical Society",
1809 notes = "density functional theory, dft",
1813 title = "Self-Consistent Equations Including Exchange and
1814 Correlation Effects",
1815 author = "W. Kohn and L. J. Sham",
1816 journal = "Phys. Rev.",
1819 pages = "A1133--A1138",
1823 doi = "10.1103/PhysRev.140.A1133",
1824 publisher = "American Physical Society",
1825 notes = "dft, exchange and correlation",
1829 title = "Strain-stabilized highly concentrated pseudomorphic
1830 $Si1-x$$Cx$ layers in Si",
1831 author = "H. R{\"u}cker and M. Methfessel and E. Bugiel and H.
1833 journal = "Phys. Rev. Lett.",
1836 pages = "3578--3581",
1840 doi = "10.1103/PhysRevLett.72.3578",
1841 publisher = "American Physical Society",
1842 notes = "high c concentration in si, heterostructure, starined
1847 title = "Electron Transport Model for Strained Silicon-Carbon
1849 author = "Shu-Tong Chang and Chung-Yi Lin",
1850 journal = "Japanese Journal of Applied Physics",
1853 pages = "2257--2262",
1856 URL = "http://jjap.ipap.jp/link?JJAP/44/2257/",
1857 doi = "10.1143/JJAP.44.2257",
1858 publisher = "The Japan Society of Applied Physics",
1859 notes = "enhance of electron mobility in starined si",
1863 author = "H. J. Osten and P. Gaworzewski",
1865 title = "Charge transport in strained Si[sub 1 - y]{C}[sub y]
1866 and Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloys on
1870 journal = "Journal of Applied Physics",
1873 pages = "4977--4981",
1874 keywords = "silicon compounds; Ge-Si alloys; wide band gap
1875 semiconductors; semiconductor epitaxial layers; carrier
1876 density; Hall mobility; interstitials; defect states",
1877 URL = "http://link.aip.org/link/?JAP/82/4977/1",
1878 doi = "10.1063/1.366364",
1879 notes = "charge transport in strained si",
1883 title = "Carbon-mediated aggregation of self-interstitials in
1884 silicon: {A} large-scale molecular dynamics study",
1885 author = "Sumeet S. Kapur and Manish Prasad and Talid Sinno",
1886 journal = "Phys. Rev. B",
1893 doi = "10.1103/PhysRevB.69.155214",
1894 publisher = "American Physical Society",
1895 notes = "simulation using promising tersoff reparametrization",
1899 title = "Event-Based Relaxation of Continuous Disordered
1901 author = "G. T. Barkema and Normand Mousseau",
1902 journal = "Phys. Rev. Lett.",
1905 pages = "4358--4361",
1909 doi = "10.1103/PhysRevLett.77.4358",
1910 publisher = "American Physical Society",
1911 notes = "activation relaxation technique, art, speed up slow
1916 author = "E. Canc\`{e}s and F. Legoll and M.-C. Marinica and K.
1917 Minoukadeh and F. Willaime",
1919 title = "Some improvements of the activation-relaxation
1920 technique method for finding transition pathways on
1921 potential energy surfaces",
1924 journal = "The Journal of Chemical Physics",
1930 keywords = "eigenvalues and eigenfunctions; iron; potential energy
1931 surfaces; vacancies (crystal)",
1932 URL = "http://link.aip.org/link/?JCP/130/114711/1",
1933 doi = "10.1063/1.3088532",
1934 notes = "improvements to art, refs for methods to find
1935 transition pathways",
1938 @Article{parrinello81,
1939 author = "M. Parrinello and A. Rahman",
1941 title = "Polymorphic transitions in single crystals: {A} new
1942 molecular dynamics method",
1945 journal = "Journal of Applied Physics",
1948 pages = "7182--7190",
1949 keywords = "MONOCRYSTALS; PHASE TRANSFORMATIONS; STRUCTURAL
1950 MODELS; DYNAMICS; THEORETICAL DATA; STRESSES;
1951 CONFIGURATION; LAGRANGE EQUATIONS; SIZE; NICKEL;
1952 COMPRESSION; TENSILE PROPERTIES; COMPARATIVE
1953 EVALUATIONS; STRAINS; CUBIC LATTICES; HCP LATTICES;
1955 URL = "http://link.aip.org/link/?JAP/52/7182/1",
1956 doi = "10.1063/1.328693",
1959 @Article{stillinger85,
1960 title = "Computer simulation of local order in condensed phases
1962 author = "Frank H. Stillinger and Thomas A. Weber",
1963 journal = "Phys. Rev. B",
1966 pages = "5262--5271",
1970 doi = "10.1103/PhysRevB.31.5262",
1971 publisher = "American Physical Society",
1975 title = "Empirical potential for hydrocarbons for use in
1976 simulating the chemical vapor deposition of diamond
1978 author = "Donald W. Brenner",
1979 journal = "Phys. Rev. B",
1982 pages = "9458--9471",
1986 doi = "10.1103/PhysRevB.42.9458",
1987 publisher = "American Physical Society",
1988 notes = "brenner hydro carbons",
1992 title = "Modeling of Covalent Bonding in Solids by Inversion of
1993 Cohesive Energy Curves",
1994 author = "Martin Z. Bazant and Efthimios Kaxiras",
1995 journal = "Phys. Rev. Lett.",
1998 pages = "4370--4373",
2002 doi = "10.1103/PhysRevLett.77.4370",
2003 publisher = "American Physical Society",
2004 notes = "first si edip",
2008 title = "Environment-dependent interatomic potential for bulk
2010 author = "Martin Z. Bazant and Efthimios Kaxiras and J. F.
2012 journal = "Phys. Rev. B",
2015 pages = "8542--8552",
2019 doi = "10.1103/PhysRevB.56.8542",
2020 publisher = "American Physical Society",
2021 notes = "second si edip",
2025 title = "Interatomic potential for silicon defects and
2027 author = "Jo\tilde{a}o F. Justo and Martin Z. Bazant and
2028 Efthimios Kaxiras and V. V. Bulatov and Sidney Yip",
2029 journal = "Phys. Rev. B",
2032 pages = "2539--2550",
2036 doi = "10.1103/PhysRevB.58.2539",
2037 publisher = "American Physical Society",
2038 notes = "latest si edip, good dislocation explanation",
2042 title = "{PARCAS} molecular dynamics code",
2043 author = "K. Nordlund",
2048 title = "Hyperdynamics: Accelerated Molecular Dynamics of
2050 author = "Arthur F. Voter",
2051 journal = "Phys. Rev. Lett.",
2054 pages = "3908--3911",
2058 doi = "10.1103/PhysRevLett.78.3908",
2059 publisher = "American Physical Society",
2060 notes = "hyperdynamics, accelerated md",
2064 author = "Arthur F. Voter",
2066 title = "A method for accelerating the molecular dynamics
2067 simulation of infrequent events",
2070 journal = "The Journal of Chemical Physics",
2073 pages = "4665--4677",
2074 keywords = "COMPUTERIZED SIMULATION; NICKEL; DIFFUSION; ATOM
2075 TRANSPORT; MOLECULAR ORBITAL METHOD; POTENTIAL ENERGY;
2076 SURFACE POTENTIAL; MOLECULAR DYNAMICS METHOD; potential
2077 energy functions; surface diffusion; reaction kinetics
2078 theory; potential energy surfaces",
2079 URL = "http://link.aip.org/link/?JCP/106/4665/1",
2080 doi = "10.1063/1.473503",
2081 notes = "improved hyperdynamics md",
2084 @Article{sorensen2000,
2085 author = "Mads R. S\o rensen and Arthur F. Voter",
2087 title = "Temperature-accelerated dynamics for simulation of
2091 journal = "The Journal of Chemical Physics",
2094 pages = "9599--9606",
2095 keywords = "SOLID STATE PHYSICS; SIMULATION; DIFFUSION; SURFACES;
2096 MOLECULAR DYNAMICS METHOD; surface diffusion",
2097 URL = "http://link.aip.org/link/?JCP/112/9599/1",
2098 doi = "10.1063/1.481576",
2099 notes = "temperature accelerated dynamics, tad",
2103 title = "Parallel replica method for dynamics of infrequent
2105 author = "Arthur F. Voter",
2106 journal = "Phys. Rev. B",
2109 pages = "R13985--R13988",
2113 doi = "10.1103/PhysRevB.57.R13985",
2114 publisher = "American Physical Society",
2115 notes = "parallel replica method, accelerated md",
2119 author = "Xiongwu Wu and Shaomeng Wang",
2121 title = "Enhancing systematic motion in molecular dynamics
2125 journal = "The Journal of Chemical Physics",
2128 pages = "9401--9410",
2129 keywords = "molecular dynamics method; argon; Lennard-Jones
2130 potential; crystallisation; liquid theory",
2131 URL = "http://link.aip.org/link/?JCP/110/9401/1",
2132 doi = "10.1063/1.478948",
2133 notes = "self guided md, sgmd, accelerated md, enhancing
2137 @Article{choudhary05,
2138 author = "Devashish Choudhary and Paulette Clancy",
2140 title = "Application of accelerated molecular dynamics schemes
2141 to the production of amorphous silicon",
2144 journal = "The Journal of Chemical Physics",
2150 keywords = "molecular dynamics method; silicon; glass structure;
2151 amorphous semiconductors",
2152 URL = "http://link.aip.org/link/?JCP/122/154509/1",
2153 doi = "10.1063/1.1878733",
2154 notes = "explanation of sgmd and hyper md, applied to amorphous
2159 author = "W. J. Taylor and T. Y. Tan and U. G{\"{o}}sele",
2161 title = "Carbon precipitation in silicon: Why is it so
2165 journal = "Applied Physics Letters",
2168 pages = "3336--3338",
2169 keywords = "SILICON; CARBON ADDITIONS; OXYGEN ADDITIONS; DOPED
2170 MATERIALS; PRECIPITATION; THERMODYNAMICS; SURFACE
2172 URL = "http://link.aip.org/link/?APL/62/3336/1",
2173 doi = "10.1063/1.109063",
2174 notes = "interfacial energy of cubic sic and si",
2177 @Article{chaussende08,
2178 title = "Prospects for 3{C}-Si{C} bulk crystal growth",
2179 journal = "Journal of Crystal Growth",
2184 note = "Proceedings of the E-MRS Conference, Symposium G -
2185 Substrates of Wide Bandgap Materials",
2187 doi = "DOI: 10.1016/j.jcrysgro.2007.11.140",
2188 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4R7J67S-F/2/e92fc194b652409f5b119393d608b082",
2189 author = "D. Chaussende and F. Mercier and A. Boulle and F.
2190 Conchon and M. Soueidan and G. Ferro and A. Mantzari
2191 and A. Andreadou and E. K. Polychroniadis and C.
2192 Balloud and S. Juillaguet and J. Camassel and M. Pons",
2193 notes = "3c-sic crystal growth, sic fabrication + links,
2198 title = "Forces in Molecules",
2199 author = "R. P. Feynman",
2200 journal = "Phys. Rev.",
2207 doi = "10.1103/PhysRev.56.340",
2208 publisher = "American Physical Society",
2209 notes = "hellmann feynman forces",
2213 title = "Bonding Arrangements at the $Si-Si{O}_{2}$ and
2214 $Si{C}-Si{O}_{2}$ Interfaces and a Possible Origin of
2215 their Contrasting Properties",
2216 author = "Ryszard Buczko and Stephen J. Pennycook and Sokrates
2218 journal = "Phys. Rev. Lett.",
2225 doi = "10.1103/PhysRevLett.84.943",
2226 publisher = "American Physical Society",
2227 notes = "si sio2 and sic sio2 interface",
2230 @Article{djurabekova08,
2231 title = "Atomistic simulation of the interface structure of Si
2232 nanocrystals embedded in amorphous silica",
2233 author = "Flyura Djurabekova and Kai Nordlund",
2234 journal = "Phys. Rev. B",
2241 doi = "10.1103/PhysRevB.77.115325",
2242 publisher = "American Physical Society",
2243 notes = "nc-si in sio2, interface energy, nc construction,
2244 angular distribution, coordination",
2248 author = "C. Wen and Y. M. Wang and W. Wan and F. H. Li and J.
2249 W. Liang and J. Zou",
2251 title = "Nature of interfacial defects and their roles in
2252 strain relaxation at highly lattice mismatched
2253 3{C}-Si{C}/Si (001) interface",
2256 journal = "Journal of Applied Physics",
2262 keywords = "anelastic relaxation; crystal structure; dislocations;
2263 elemental semiconductors; semiconductor growth;
2264 semiconductor thin films; silicon; silicon compounds;
2265 stacking faults; wide band gap semiconductors",
2266 URL = "http://link.aip.org/link/?JAP/106/073522/1",
2267 doi = "10.1063/1.3234380",
2268 notes = "sic/si interface, follow refs, tem image
2269 deconvolution, dislocation defects",
2272 @Article{kitabatake93,
2273 author = "Makoto Kitabatake and Masahiro Deguchi and Takashi
2276 title = "Simulations and experiments of Si{C} heteroepitaxial
2277 growth on Si(001) surface",
2280 journal = "Journal of Applied Physics",
2283 pages = "4438--4445",
2284 keywords = "SILICON CARBIDES; FILM GROWTH; SIMULATION; MOLECULAR
2285 BEAM EPITAXY; MOLECULAR DYNAMICS CALCULATIONS; SILICON;
2286 MICROSTRUCTURE; ULTRAVIOLET RADIATION; IRRADIATION",
2287 URL = "http://link.aip.org/link/?JAP/74/4438/1",
2288 doi = "10.1063/1.354385",
2289 notes = "mbe and md of sic growth on si, 4 to 5 shrinkage
2294 title = "Strain relaxation and thermal stability of the
2295 3{C}-Si{C}(001)/Si(001) interface: {A} molecular
2297 journal = "Thin Solid Films",
2304 doi = "DOI: 10.1016/S0040-6090(96)09257-7",
2305 URL = "http://www.sciencedirect.com/science/article/B6TW0-41WBB52-C/2/6ef684a04d02dd3b108f972377cde8f4",
2306 author = "V. Chirita and L. Hultman and L. R. Wallenberg",
2307 keywords = "Strain relaxation",
2308 keywords = "Interfaces",
2309 keywords = "Thermal stability",
2310 keywords = "Molecular dynamics",
2311 notes = "tersoff sic/si interface study",
2315 title = "Ab initio Study of Misfit Dislocations at the
2316 $Si{C}/Si(001)$ Interface",
2317 author = "Giancarlo Cicero and Laurent Pizzagalli and Alessandra
2319 journal = "Phys. Rev. Lett.",
2326 doi = "10.1103/PhysRevLett.89.156101",
2327 publisher = "American Physical Society",
2328 notes = "sic/si interface study",
2331 @Article{pizzagalli03,
2332 title = "Theoretical investigations of a highly mismatched
2333 interface: Si{C}/Si(001)",
2334 author = "Laurent Pizzagalli and Giancarlo Cicero and Alessandra
2336 journal = "Phys. Rev. B",
2343 doi = "10.1103/PhysRevB.68.195302",
2344 publisher = "American Physical Society",
2345 notes = "tersoff md and ab initio sic/si interface study",
2349 title = "Atomic configurations of dislocation core and twin
2350 boundaries in $ 3{C}-Si{C} $ studied by high-resolution
2351 electron microscopy",
2352 author = "C. Y. Tang and F. H. Li and R. Wang and J. Zou and X.
2353 H. Zheng and J. W. Liang",
2354 journal = "Phys. Rev. B",
2361 doi = "10.1103/PhysRevB.75.184103",
2362 publisher = "American Physical Society",
2363 notes = "hrem image deconvolution on 3c-sic on si, distinguish
2367 @Article{hornstra58,
2368 title = "Dislocations in the diamond lattice",
2369 journal = "Journal of Physics and Chemistry of Solids",
2376 doi = "DOI: 10.1016/0022-3697(58)90138-0",
2377 URL = "http://www.sciencedirect.com/science/article/B6TXR-46MMPHJ-10D/2/7176c01c29cd4e73faa26ab2aacdcea5",
2378 author = "J. Hornstra",
2379 notes = "dislocations in diamond lattice",
2382 @Article{eichhorn99,
2383 author = "F. Eichhorn and N. Schell and W. Matz and R.
2386 title = "Strain and Si{C} particle formation in silicon
2387 implanted with carbon ions of medium fluence studied by
2388 synchrotron x-ray diffraction",
2391 journal = "Journal of Applied Physics",
2394 pages = "4184--4187",
2395 keywords = "silicon; carbon; elemental semiconductors; chemical
2396 interdiffusion; ion implantation; X-ray diffraction;
2397 precipitation; semiconductor doping",
2398 URL = "http://link.aip.org/link/?JAP/86/4184/1",
2399 doi = "10.1063/1.371344",
2400 notes = "sic conversion by ibs, detected substitutional carbon,
2401 expansion of si lattice",
2404 @Article{eichhorn02,
2405 author = "F. Eichhorn and N. Schell and A. M{\"{u}}cklich and H.
2406 Metzger and W. Matz and R. K{\"{o}}gler",
2408 title = "Structural relation between Si and Si{C} formed by
2409 carbon ion implantation",
2412 journal = "Journal of Applied Physics",
2415 pages = "1287--1292",
2416 keywords = "silicon compounds; wide band gap semiconductors; ion
2417 implantation; annealing; X-ray scattering; transmission
2418 electron microscopy",
2419 URL = "http://link.aip.org/link/?JAP/91/1287/1",
2420 doi = "10.1063/1.1428105",
2421 notes = "3c-sic alignement to si host in ibs depending on
2422 temperature, might explain c int to c sub trafo",
2426 author = "G Lucas and M Bertolus and L Pizzagalli",
2427 title = "An environment-dependent interatomic potential for
2428 silicon carbide: calculation of bulk properties,
2429 high-pressure phases, point and extended defects, and
2430 amorphous structures",
2431 journal = "Journal of Physics: Condensed Matter",
2435 URL = "http://stacks.iop.org/0953-8984/22/i=3/a=035802",
2441 author = "J Godet and L Pizzagalli and S Brochard and P
2443 title = "Comparison between classical potentials and ab initio
2444 methods for silicon under large shear",
2445 journal = "Journal of Physics: Condensed Matter",
2449 URL = "http://stacks.iop.org/0953-8984/15/i=41/a=004",
2451 notes = "comparison of empirical potentials, stillinger weber,
2452 edip, tersoff, ab initio",
2455 @Article{moriguchi98,
2456 title = "Verification of Tersoff's Potential for Static
2457 Structural Analysis of Solids of Group-{IV} Elements",
2458 author = "Koji Moriguchi and Akira Shintani",
2459 journal = "Japanese Journal of Applied Physics",
2461 number = "Part 1, No. 2",
2465 URL = "http://jjap.ipap.jp/link?JJAP/37/414/",
2466 doi = "10.1143/JJAP.37.414",
2467 publisher = "The Japan Society of Applied Physics",
2468 notes = "tersoff stringent test",
2471 @Article{mazzarolo01,
2472 title = "Low-energy recoils in crystalline silicon: Quantum
2474 author = "Massimiliano Mazzarolo and Luciano Colombo and Giorgio
2475 Lulli and Eros Albertazzi",
2476 journal = "Phys. Rev. B",
2483 doi = "10.1103/PhysRevB.63.195207",
2484 publisher = "American Physical Society",
2487 @Article{holmstroem08,
2488 title = "Threshold defect production in silicon determined by
2489 density functional theory molecular dynamics
2491 author = "E. Holmstr{\"o}m and A. Kuronen and K. Nordlund",
2492 journal = "Phys. Rev. B",
2499 doi = "10.1103/PhysRevB.78.045202",
2500 publisher = "American Physical Society",
2501 notes = "threshold displacement comparison empirical and ab
2505 @Article{nordlund97,
2506 title = "Repulsive interatomic potentials calculated using
2507 Hartree-Fock and density-functional theory methods",
2508 journal = "Nuclear Instruments and Methods in Physics Research
2509 Section B: Beam Interactions with Materials and Atoms",
2516 doi = "DOI: 10.1016/S0168-583X(97)00447-3",
2517 URL = "http://www.sciencedirect.com/science/article/B6TJN-4CP0TGF-91/2/1a9100c0aae82d2d258fc83dfdba23c1",
2518 author = "K. Nordlund and N. Runeberg and D. Sundholm",
2519 notes = "repulsive ab initio potential",
2523 title = "Efficiency of ab-initio total energy calculations for
2524 metals and semiconductors using a plane-wave basis
2526 journal = "Computational Materials Science",
2533 doi = "DOI: 10.1016/0927-0256(96)00008-0",
2534 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74",
2535 author = "G. Kresse and J. Furthm{\"{u}}ller",
2540 title = "Projector augmented-wave method",
2541 author = "P. E. Bl{\"o}chl",
2542 journal = "Phys. Rev. B",
2545 pages = "17953--17979",
2549 doi = "10.1103/PhysRevB.50.17953",
2550 publisher = "American Physical Society",
2551 notes = "paw method",
2555 title = "Norm-Conserving Pseudopotentials",
2556 author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
2557 journal = "Phys. Rev. Lett.",
2560 pages = "1494--1497",
2564 doi = "10.1103/PhysRevLett.43.1494",
2565 publisher = "American Physical Society",
2566 notes = "norm-conserving pseudopotentials",
2569 @Article{vanderbilt90,
2570 title = "Soft self-consistent pseudopotentials in a generalized
2571 eigenvalue formalism",
2572 author = "David Vanderbilt",
2573 journal = "Phys. Rev. B",
2576 pages = "7892--7895",
2580 doi = "10.1103/PhysRevB.41.7892",
2581 publisher = "American Physical Society",
2582 notes = "vasp pseudopotentials",
2586 title = "Accurate and simple density functional for the
2587 electronic exchange energy: Generalized gradient
2589 author = "John P. Perdew and Wang Yue",
2590 journal = "Phys. Rev. B",
2593 pages = "8800--8802",
2597 doi = "10.1103/PhysRevB.33.8800",
2598 publisher = "American Physical Society",
2599 notes = "rapid communication gga",
2603 title = "Generalized gradient approximations for exchange and
2604 correlation: {A} look backward and forward",
2605 journal = "Physica B: Condensed Matter",
2612 doi = "DOI: 10.1016/0921-4526(91)90409-8",
2613 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8GR9-3D/2/18e610a616e4d80b934079c89063ece7",
2614 author = "John P. Perdew",
2615 notes = "gga overview",
2619 title = "Atoms, molecules, solids, and surfaces: Applications
2620 of the generalized gradient approximation for exchange
2622 author = "John P. Perdew and J. A. Chevary and S. H. Vosko and
2623 Koblar A. Jackson and Mark R. Pederson and D. J. Singh
2624 and Carlos Fiolhais",
2625 journal = "Phys. Rev. B",
2628 pages = "6671--6687",
2632 doi = "10.1103/PhysRevB.46.6671",
2633 publisher = "American Physical Society",
2634 notes = "gga pw91 (as in vasp)",
2637 @Article{baldereschi73,
2638 title = "Mean-Value Point in the Brillouin Zone",
2639 author = "A. Baldereschi",
2640 journal = "Phys. Rev. B",
2643 pages = "5212--5215",
2647 doi = "10.1103/PhysRevB.7.5212",
2648 publisher = "American Physical Society",
2649 notes = "mean value k point",
2653 title = "Ab initio pseudopotential calculations of dopant
2655 journal = "Computational Materials Science",
2662 doi = "DOI: 10.1016/S0927-0256(98)00023-8",
2663 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VB7F2K-7/2/aa864582273be8e054300efb7bd16a1b",
2664 author = "Jing Zhu",
2665 keywords = "TED (transient enhanced diffusion)",
2666 keywords = "Boron dopant",
2667 keywords = "Carbon dopant",
2668 keywords = "Defect",
2669 keywords = "ab initio pseudopotential method",
2670 keywords = "Impurity cluster",
2671 notes = "binding of c to si interstitial, c in si defects",
2675 author = "A. Nejim and P. L. F. Hemment and J. Stoemenos",
2677 title = "Si{C} buried layer formation by ion beam synthesis at
2681 journal = "Applied Physics Letters",
2684 pages = "2646--2648",
2685 keywords = "SILICON; ION IMPLANTATION; CARBON IONS; SILICON
2686 CARBIDES; BURIED LAYERS; SYNTHESIS; KEV RANGE 100 --
2687 1000; CRYSTAL DEFECTS; MORPHOLOGY; RBS; TRANSMISSION
2688 ELECTRON MICROSCOPY",
2689 URL = "http://link.aip.org/link/?APL/66/2646/1",
2690 doi = "10.1063/1.113112",
2691 notes = "precipitation mechanism by substitutional carbon, si
2692 self interstitials react with further implanted c",
2696 author = "C. Guedj and M. W. Dashiell and L. Kulik and J.
2697 Kolodzey and A. Hairie",
2699 title = "Precipitation of beta-Si{C} in Si[sub 1 - y]{C}[sub y]
2703 journal = "Journal of Applied Physics",
2706 pages = "4631--4633",
2707 keywords = "silicon compounds; precipitation; localised modes;
2708 semiconductor epitaxial layers; infrared spectra;
2709 Fourier transform spectra; thermal stability;
2711 URL = "http://link.aip.org/link/?JAP/84/4631/1",
2712 doi = "10.1063/1.368703",
2713 notes = "coherent 3C-SiC, topotactic, critical coherence size",
2717 author = "R Jones and B J Coomer and P R Briddon",
2718 title = "Quantum mechanical modelling of defects in
2720 journal = "Journal of Physics: Condensed Matter",
2724 URL = "http://stacks.iop.org/0953-8984/16/i=27/a=004",
2726 notes = "ab inito init, vibrational modes, c defect in si",
2730 author = "S. Y. Park and J. D'Arcy-Gall and D. Gall and J. A. N.
2731 T Soares and Y.-W. Kim and H. Kim and P. Desjardins and
2732 J. E. Greene and S. G. Bishop",
2734 title = "Carbon incorporation pathways and lattice sites in
2735 Si[sub 1 - y]{C}[sub y] alloys grown on Si(001) by
2736 molecular-beam epitaxy",
2739 journal = "Journal of Applied Physics",
2742 pages = "5716--5727",
2743 URL = "http://link.aip.org/link/?JAP/91/5716/1",
2744 doi = "10.1063/1.1465122",
2745 notes = "c substitutional incorporation pathway, dft and expt",
2749 title = "Dynamic properties of interstitial carbon and
2750 carbon-carbon pair defects in silicon",
2751 author = "P. Leary and R. Jones and S. {\"O}berg and V. J. B.
2753 journal = "Phys. Rev. B",
2756 pages = "2188--2194",
2760 doi = "10.1103/PhysRevB.55.2188",
2761 publisher = "American Physical Society",
2762 notes = "ab initio c in si and di-carbon defect, no formation
2763 energies, different migration barriers and paths",
2767 title = "Interstitial carbon and the carbon-carbon pair in
2768 silicon: Semiempirical electronic-structure
2770 author = "Matthew J. Burnard and Gary G. DeLeo",
2771 journal = "Phys. Rev. B",
2774 pages = "10217--10225",
2778 doi = "10.1103/PhysRevB.47.10217",
2779 publisher = "American Physical Society",
2780 notes = "semi empirical mndo, pm3 and mindo3 c in si and di
2781 carbon defect, formation energies",
2785 title = "Review of atomistic simulations of surface diffusion
2786 and growth on semiconductors",
2787 journal = "Computational Materials Science",
2792 note = "Proceedings of the Workshop on Virtual Molecular Beam
2795 doi = "DOI: 10.1016/0927-0256(96)00030-4",
2796 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VSFF1G-7/2/afc8408b00ded1ca2dc3ad1686c2dae6",
2797 author = "Efthimios Kaxiras",
2798 notes = "might contain c 100 db formation energy, overview md,
2799 tight binding, first principles",
2802 @Article{kaukonen98,
2803 title = "Effect of {N} and {B} doping on the growth of {CVD}
2805 $(100):{H}(2\ifmmode\times\else\texttimes\fi{}1)$
2807 author = "M. Kaukonen and P. K. Sitch and G. Jungnickel and R.
2808 M. Nieminen and Sami P{\"o}ykk{\"o} and D. Porezag and
2810 journal = "Phys. Rev. B",
2813 pages = "9965--9970",
2817 doi = "10.1103/PhysRevB.57.9965",
2818 publisher = "American Physical Society",
2819 notes = "constrained conjugate gradient relaxation technique
2824 title = "Correlation between the antisite pair and the ${DI}$
2826 author = "A. Gali and P. De\'ak and E. Rauls and N. T. Son and
2827 I. G. Ivanov and F. H. C. Carlsson and E. Janz\'en and
2829 journal = "Phys. Rev. B",
2836 doi = "10.1103/PhysRevB.67.155203",
2837 publisher = "American Physical Society",
2841 title = "Production and recovery of defects in Si{C} after
2842 irradiation and deformation",
2843 journal = "Journal of Nuclear Materials",
2846 pages = "1803--1808",
2850 doi = "DOI: 10.1016/S0022-3115(98)00139-1",
2851 URL = "http://www.sciencedirect.com/science/article/B6TXN-43G486N-47/2/56905f48f025ab98e5de4d6cde09c62b",
2852 author = "J. Chen and P. Jung and H. Klein",
2856 title = "Accumulation, dynamic annealing and thermal recovery
2857 of ion-beam-induced disorder in silicon carbide",
2858 journal = "Nuclear Instruments and Methods in Physics Research
2859 Section B: Beam Interactions with Materials and Atoms",
2866 doi = "DOI: 10.1016/S0168-583X(00)00542-5",
2867 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KH7Y-2R/2/8acc176700c95bb8614d96c40cfc5577",
2868 author = "W. J. Weber and W. Jiang and S. Thevuthasan",
2869 keywords = "Amorphization",
2870 keywords = "Irradiation effects",
2871 keywords = "Thermal recovery",
2872 keywords = "Silicon carbide",
2875 @Article{bockstedte03,
2876 title = "Ab initio study of the migration of intrinsic defects
2878 author = "Michel Bockstedte and Alexander Mattausch and Oleg
2880 journal = "Phys. Rev. B",
2887 doi = "10.1103/PhysRevB.68.205201",
2888 publisher = "American Physical Society",
2889 notes = "defect migration in sic",
2893 title = "Theoretical study of vacancy diffusion and
2894 vacancy-assisted clustering of antisites in Si{C}",
2895 author = "E. Rauls and Th. Frauenheim and A. Gali and P.
2897 journal = "Phys. Rev. B",
2904 doi = "10.1103/PhysRevB.68.155208",
2905 publisher = "American Physical Society",