2 % bibliography database
6 author = "Paul Erhart and Karsten Albe",
7 title = "Analytical potential for atomistic simulations of
8 silicon, carbon, and silicon carbide",
11 journal = "Phys. Rev. B",
17 notes = "alble reparametrization, analytical bond oder
19 keywords = "silicon; elemental semiconductors; carbon; silicon
20 compounds; wide band gap semiconductors; elasticity;
21 enthalpy; point defects; crystallographic shear; atomic
23 URL = "http://link.aps.org/abstract/PRB/v71/e035211",
24 doi = "10.1103/PhysRevB.71.035211",
28 title = "Modeling the metal-semiconductor interaction:
29 Analytical bond-order potential for platinum-carbon",
30 author = "Karsten Albe and Kai Nordlund and Robert S. Averback",
31 journal = "Phys. Rev. B",
38 doi = "10.1103/PhysRevB.65.195124",
39 publisher = "American Physical Society",
40 notes = "derivation of albe bond order formalism",
44 title = "The solubility of carbon in pulled silicon crystals",
45 journal = "Journal of Physics and Chemistry of Solids",
52 doi = "DOI: 10.1016/S0022-3697(71)80179-8",
53 URL = "http://www.sciencedirect.com/science/article/B6TXR-4PR80SS-D/2/ce21d10d2bb885b5641905883a618ff5",
54 author = "A. R. Bean and R. C. Newman",
55 notes = "experimental solubility data of carbon in silicon",
59 author = "M. A. Capano and R. J. Trew",
60 title = "Silicon Carbide Electronic Materials and Devices",
61 journal = "MRS Bull.",
68 author = "G. R. Fisher and P. Barnes",
69 title = "Towards a unified view of polytypism in silicon
71 journal = "Philosophical Magazine Part B",
75 notes = "sic polytypes",
79 author = "R. K{\"{o}}gler and F. Eichhorn and J. R. Kaschny and
80 A. M{\"{u}}cklich and H. Reuther and W. Skorupa and C.
81 Serre and A. Perez-Rodriguez",
82 title = "Synthesis of nano-sized Si{C} precipitates in Si by
83 simultaneous dual-beam implantation of {C}+ and Si+
85 journal = "Applied Physics A: Materials Science \& Processing",
90 notes = "dual implantation, sic prec enhanced by vacancies,
91 precipitation by interstitial and substitutional
92 carbon, both mechanisms explained + refs",
96 author = "P. S. de Laplace",
97 title = "Th\'eorie analytique des probabilit\'es",
98 series = "Oeuvres Compl\`etes de Laplace",
100 publisher = "Gauthier-Villars",
104 @Article{mattoni2007,
105 author = "A. {Mattoni} and M. {Ippolito} and L. {Colombo}",
106 title = "{Atomistic modeling of brittleness in covalent
108 journal = "Phys. Rev. B",
114 doi = "10.1103/PhysRevB.76.224103",
115 notes = "adopted tersoff potential for Si, C, Ge ad SiC;
116 longe(r)-range-interactions, brittle propagation of
117 fracture, more available potentials, universal energy
118 relation (uer), minimum range model (mrm)",
122 title = "Comparative study of silicon empirical interatomic
124 author = "H. Balamane and T. Halicioglu and W. A. Tiller",
125 journal = "Phys. Rev. B",
128 pages = "2250--2279",
132 doi = "10.1103/PhysRevB.46.2250",
133 publisher = "American Physical Society",
134 notes = "comparison of classical potentials for si",
138 title = "Stress relaxation in $a-Si$ induced by ion
140 author = "H. M. Urbassek M. Koster",
141 journal = "Phys. Rev. B",
144 pages = "11219--11224",
148 doi = "10.1103/PhysRevB.62.11219",
149 publisher = "American Physical Society",
150 notes = "virial derivation for 3-body tersoff potential",
153 @Article{breadmore99,
154 title = "Direct simulation of ion-beam-induced stressing and
155 amorphization of silicon",
156 author = "N. Gr\o{}nbech-Jensen K. M. Beardmore",
157 journal = "Phys. Rev. B",
160 pages = "12610--12616",
164 doi = "10.1103/PhysRevB.60.12610",
165 publisher = "American Physical Society",
166 notes = "virial derivation for 3-body tersoff potential",
170 author = "Henri Moissan",
171 title = "Nouvelles recherches sur la météorité de Cañon
173 journal = "Comptes rendus de l'Académie des Sciences",
180 author = "Y. S. Park",
181 title = "Si{C} Materials and Devices",
182 publisher = "Academic Press",
183 address = "San Diego",
188 author = "Valeri F. Tsvetkov and R. C. Glass and D. Henshall and
189 Calvin H. Carter Jr. and D. Asbury",
190 title = "Si{C} Seeded Boule Growth",
191 journal = "Materials Science Forum",
195 notes = "modified lely process, micropipes",
199 title = "Computer {"}Experiments{"} on Classical Fluids. {I}.
200 Thermodynamical Properties of Lennard-Jones Molecules",
201 author = "Loup Verlet",
202 journal = "Phys. Rev.",
208 doi = "10.1103/PhysRev.159.98",
209 publisher = "American Physical Society",
210 notes = "velocity verlet integration algorithm equation of
214 @Article{berendsen84,
215 author = "H. J. C. Berendsen and J. P. M. Postma and W. F. van
216 Gunsteren and A. DiNola and J. R. Haak",
218 title = "Molecular dynamics with coupling to an external bath",
221 journal = "The Journal of Chemical Physics",
224 pages = "3684--3690",
225 keywords = "MOLECULAR DYNAMICS CALCULATION; TRANSPORT THEORY;
226 COMPUTERIZED SIMULATION; LIQUIDS; STRUCTURE FACTORS",
227 URL = "http://link.aip.org/link/?JCP/81/3684/1",
228 doi = "10.1063/1.448118",
229 notes = "berendsen thermostat barostat",
233 author = "Hanchen Huang and N M Ghoniem and J K Wong and M
235 title = "Molecular dynamics determination of defect energetics
236 in beta -Si{C} using three representative empirical
238 journal = "Modelling and Simulation in Materials Science and
243 URL = "http://stacks.iop.org/0965-0393/3/615",
244 notes = "comparison of tersoff, pearson and eam for defect
245 energetics in sic; (m)eam parameters for sic",
250 title = "Relationship between the embedded-atom method and
252 author = "Donald W. Brenner",
253 journal = "Phys. Rev. Lett.",
260 doi = "10.1103/PhysRevLett.63.1022",
261 publisher = "American Physical Society",
262 notes = "relation of tersoff and eam potential",
266 title = "Molecular-dynamics study of self-interstitials in
268 author = "Inder P. Batra and Farid F. Abraham and S. Ciraci",
269 journal = "Phys. Rev. B",
272 pages = "9552--9558",
276 doi = "10.1103/PhysRevB.35.9552",
277 publisher = "American Physical Society",
278 notes = "selft-interstitials in silicon, stillinger-weber,
279 calculation of defect formation energy, defect
284 title = "Extended interstitials in silicon and germanium",
285 author = "H. R. Schober",
286 journal = "Phys. Rev. B",
289 pages = "13013--13015",
293 doi = "10.1103/PhysRevB.39.13013",
294 publisher = "American Physical Society",
295 notes = "stillinger-weber silicon 110 stable and metastable
296 dumbbell configuration",
300 title = "Cascade overlap and amorphization in $3{C}-Si{C}:$
301 Defect accumulation, topological features, and
303 author = "F. Gao and W. J. Weber",
304 journal = "Phys. Rev. B",
311 doi = "10.1103/PhysRevB.66.024106",
312 publisher = "American Physical Society",
313 notes = "sic intro, si cascade in 3c-sic, amorphization,
314 tersoff modified, pair correlation of amorphous sic, md
318 @Article{devanathan98,
319 title = "Computer simulation of a 10 ke{V} Si displacement
321 journal = "Nuclear Instruments and Methods in Physics Research
322 Section B: Beam Interactions with Materials and Atoms",
328 doi = "DOI: 10.1016/S0168-583X(98)00084-6",
329 author = "R. Devanathan and W. J. Weber and T. Diaz de la
331 notes = "modified tersoff short range potential, ab initio
335 @Article{devanathan98_2,
336 title = "Displacement threshold energies in [beta]-Si{C}",
337 journal = "Journal of Nuclear Materials",
343 doi = "DOI: 10.1016/S0022-3115(97)00304-8",
344 author = "R. Devanathan and T. Diaz de la Rubia and W. J.
346 notes = "modified tersoff, ab initio, combined ab initio
350 @Article{kitabatake00,
351 title = "Si{C}/Si heteroepitaxial growth",
352 author = "M. Kitabatake",
353 journal = "Thin Solid Films",
358 notes = "md simulation, sic si heteroepitaxy, mbe",
362 title = "Intrinsic point defects in crystalline silicon:
363 Tight-binding molecular dynamics studies of
364 self-diffusion, interstitial-vacancy recombination, and
366 author = "M. Tang and L. Colombo and J. Zhu and T. Diaz de la
368 journal = "Phys. Rev. B",
371 pages = "14279--14289",
375 doi = "10.1103/PhysRevB.55.14279",
376 publisher = "American Physical Society",
377 notes = "si self interstitial, diffusion, tbmd",
381 author = "M. D. Johnson and M.-J. Caturla and T. D\'{\i}az de la
384 title = "A kinetic Monte--Carlo study of the effective
385 diffusivity of the silicon self-interstitial in the
386 presence of carbon and boron",
389 journal = "Journal of Applied Physics",
392 pages = "1963--1967",
393 keywords = "MONTE CARLO METHOD; DIFFUSION; SILICON; INTERSTITIALS;
394 CARBON ADDITIONS; BORON ADDITIONS; elemental
395 semiconductors; self-diffusion",
396 URL = "http://link.aip.org/link/?JAP/84/1963/1",
397 doi = "10.1063/1.368328",
398 notes = "kinetic monte carlo of si self interstitial
403 title = "Barrier to Migration of the Silicon
405 author = "Y. Bar-Yam and J. D. Joannopoulos",
406 journal = "Phys. Rev. Lett.",
409 pages = "1129--1132",
413 doi = "10.1103/PhysRevLett.52.1129",
414 publisher = "American Physical Society",
415 notes = "si self-interstitial migration barrier",
418 @Article{bar-yam84_2,
419 title = "Electronic structure and total-energy migration
420 barriers of silicon self-interstitials",
421 author = "Y. Bar-Yam and J. D. Joannopoulos",
422 journal = "Phys. Rev. B",
425 pages = "1844--1852",
429 doi = "10.1103/PhysRevB.30.1844",
430 publisher = "American Physical Society",
434 title = "First-principles calculations of self-diffusion
435 constants in silicon",
436 author = "Peter E. Bl{\"o}chl and Enrico Smargiassi and R. Car
437 and D. B. Laks and W. Andreoni and S. T. Pantelides",
438 journal = "Phys. Rev. Lett.",
441 pages = "2435--2438",
445 doi = "10.1103/PhysRevLett.70.2435",
446 publisher = "American Physical Society",
447 notes = "si self int diffusion by ab initio md, formation
448 entropy calculations",
452 title = "Tight-binding theory of native point defects in
454 author = "L. Colombo",
455 journal = "Annu. Rev. Mater. Res.",
460 doi = "10.1146/annurev.matsci.32.111601.103036",
461 publisher = "Annual Reviews",
462 notes = "si self interstitial, tbmd, virial stress",
465 @Article{al-mushadani03,
466 title = "Free-energy calculations of intrinsic point defects in
468 author = "O. K. Al-Mushadani and R. J. Needs",
469 journal = "Phys. Rev. B",
476 doi = "10.1103/PhysRevB.68.235205",
477 publisher = "American Physical Society",
478 notes = "formation energies of intrinisc point defects in
479 silicon, si self interstitials, free energy",
482 @Article{goedecker02,
483 title = "A Fourfold Coordinated Point Defect in Silicon",
484 author = "Stefan Goedecker and Thierry Deutsch and Luc Billard",
485 journal = "Phys. Rev. Lett.",
492 doi = "10.1103/PhysRevLett.88.235501",
493 publisher = "American Physical Society",
494 notes = "first time ffcd, fourfold coordinated point defect in
499 title = "Ab initio calculations of the interaction between
500 native point defects in silicon",
501 journal = "Materials Science and Engineering: B",
506 note = "EMRS 2005, Symposium D - Materials Science and Device
507 Issues for Future Technologies",
509 doi = "DOI: 10.1016/j.mseb.2005.08.072",
510 URL = "http://www.sciencedirect.com/science/article/B6TXF-4H6PKRB-3/2/e217bd3d7ee1fffee899eeb4a2f133a4",
511 author = "G. Hobler and G. Kresse",
512 notes = "vasp intrinsic si defect interaction study, capture
517 title = "Ab initio study of self-diffusion in silicon over a
518 wide temperature range: Point defect states and
519 migration mechanisms",
520 author = "Shangyi Ma and Shaoqing Wang",
521 journal = "Phys. Rev. B",
528 doi = "10.1103/PhysRevB.81.193203",
529 publisher = "American Physical Society",
530 notes = "si self interstitial diffusion + refs",
534 title = "Atomistic simulations on the thermal stability of the
535 antisite pair in 3{C}- and 4{H}-Si{C}",
536 author = "M. Posselt and F. Gao and W. J. Weber",
537 journal = "Phys. Rev. B",
544 doi = "10.1103/PhysRevB.73.125206",
545 publisher = "American Physical Society",
549 title = "Correlation between self-diffusion in Si and the
550 migration mechanisms of vacancies and
551 self-interstitials: An atomistic study",
552 author = "M. Posselt and F. Gao and H. Bracht",
553 journal = "Phys. Rev. B",
560 doi = "10.1103/PhysRevB.78.035208",
561 publisher = "American Physical Society",
562 notes = "si self-interstitial and vacancy diffusion, stillinger
567 title = "Ab initio and empirical-potential studies of defect
568 properties in $3{C}-Si{C}$",
569 author = "F. Gao and E. J. Bylaska and W. J. Weber and L. R.
571 journal = "Phys. Rev. B",
578 doi = "10.1103/PhysRevB.64.245208",
579 publisher = "American Physical Society",
580 notes = "defects in 3c-sic",
584 title = "Empirical potential approach for defect properties in
586 journal = "Nuclear Instruments and Methods in Physics Research
587 Section B: Beam Interactions with Materials and Atoms",
594 doi = "DOI: 10.1016/S0168-583X(02)00600-6",
595 URL = "http://www.sciencedirect.com/science/article/B6TJN-453NR6B-G/2/e65b0730e94e13d66f72a2147b449ea7",
596 author = "Fei Gao and William J. Weber",
597 keywords = "Empirical potential",
598 keywords = "Defect properties",
599 keywords = "Silicon carbide",
600 keywords = "Computer simulation",
601 notes = "sic potential, brenner type, like erhart/albe",
605 title = "Atomistic study of intrinsic defect migration in
607 author = "Fei Gao and William J. Weber and M. Posselt and V.
609 journal = "Phys. Rev. B",
616 doi = "10.1103/PhysRevB.69.245205",
617 publisher = "American Physical Society",
618 notes = "defect migration in sic",
622 author = "F. Gao and J. Du and E. J. Bylaska and M. Posselt and
625 title = "Ab Initio atomic simulations of antisite pair recovery
626 in cubic silicon carbide",
629 journal = "Applied Physics Letters",
635 keywords = "ab initio calculations; silicon compounds; antisite
636 defects; wide band gap semiconductors; molecular
637 dynamics method; density functional theory;
638 electron-hole recombination; photoluminescence;
639 impurities; diffusion",
640 URL = "http://link.aip.org/link/?APL/90/221915/1",
641 doi = "10.1063/1.2743751",
644 @Article{mattoni2002,
645 title = "Self-interstitial trapping by carbon complexes in
646 crystalline silicon",
647 author = "A. Mattoni and F. Bernardini and L. Colombo",
648 journal = "Phys. Rev. B",
655 doi = "10.1103/PhysRevB.66.195214",
656 publisher = "American Physical Society",
657 notes = "c in c-si, diffusion, interstitial configuration +
658 links, interaction of carbon and silicon interstitials,
659 tersoff suitability",
663 title = "Calculations of Silicon Self-Interstitial Defects",
664 author = "W.-K. Leung and R. J. Needs and G. Rajagopal and S.
666 journal = "Phys. Rev. Lett.",
669 pages = "2351--2354",
673 doi = "10.1103/PhysRevLett.83.2351",
674 publisher = "American Physical Society",
675 notes = "nice images of the defects, si defect overview +
680 title = "Identification of the migration path of interstitial
682 author = "R. B. Capaz and A. {Dal Pino} and J. D. Joannopoulos",
683 journal = "Phys. Rev. B",
686 pages = "7439--7442",
690 doi = "10.1103/PhysRevB.50.7439",
691 publisher = "American Physical Society",
692 notes = "carbon interstitial migration path shown, 001 c-si
697 title = "Theory of carbon-carbon pairs in silicon",
698 author = "R. B. Capaz and A. {Dal Pino} and J. D. Joannopoulos",
699 journal = "Phys. Rev. B",
702 pages = "9845--9850",
706 doi = "10.1103/PhysRevB.58.9845",
707 publisher = "American Physical Society",
708 notes = "carbon pairs in si",
712 title = "Ab initio investigation of carbon-related defects in
714 author = "A. {Dal Pino} and Andrew M. Rappe and J. D.
716 journal = "Phys. Rev. B",
719 pages = "12554--12557",
723 doi = "10.1103/PhysRevB.47.12554",
724 publisher = "American Physical Society",
725 notes = "c interstitials in crystalline silicon",
729 title = "Microscopic Theory of Atomic Diffusion Mechanisms in
731 author = "Roberto Car and Paul J. Kelly and Atsushi Oshiyama and
732 Sokrates T. Pantelides",
733 journal = "Phys. Rev. Lett.",
736 pages = "1814--1817",
740 doi = "10.1103/PhysRevLett.52.1814",
741 publisher = "American Physical Society",
742 notes = "microscopic theory diffusion silicon dft migration
747 title = "Unified Approach for Molecular Dynamics and
748 Density-Functional Theory",
749 author = "R. Car and M. Parrinello",
750 journal = "Phys. Rev. Lett.",
753 pages = "2471--2474",
757 doi = "10.1103/PhysRevLett.55.2471",
758 publisher = "American Physical Society",
759 notes = "car parrinello method, dft and md",
763 title = "Short-range order, bulk moduli, and physical trends in
764 c-$Si1-x$$Cx$ alloys",
765 author = "P. C. Kelires",
766 journal = "Phys. Rev. B",
769 pages = "8784--8787",
773 doi = "10.1103/PhysRevB.55.8784",
774 publisher = "American Physical Society",
775 notes = "c strained si, montecarlo md, bulk moduli, next
780 title = "Monte Carlo Studies of Ternary Semiconductor Alloys:
781 Application to the $Si1-x-yGexCy$ System",
782 author = "P. C. Kelires",
783 journal = "Phys. Rev. Lett.",
786 pages = "1114--1117",
790 doi = "10.1103/PhysRevLett.75.1114",
791 publisher = "American Physical Society",
792 notes = "mc md, strain compensation in si ge by c insertion",
796 title = "Low temperature electron irradiation of silicon
798 journal = "Solid State Communications",
805 doi = "DOI: 10.1016/0038-1098(70)90074-8",
806 URL = "http://www.sciencedirect.com/science/article/B6TVW-46MF8S4-156/2/5f4d9c189a3d97227fde9214195aa081",
807 author = "A. R. Bean and R. C. Newman",
811 title = "{EPR} Observation of the Isolated Interstitial Carbon
813 author = "G. D. Watkins and K. L. Brower",
814 journal = "Phys. Rev. Lett.",
817 pages = "1329--1332",
821 doi = "10.1103/PhysRevLett.36.1329",
822 publisher = "American Physical Society",
823 notes = "epr observations of 100 interstitial carbon atom in
828 title = "{EPR} identification of the single-acceptor state of
829 interstitial carbon in silicon",
830 author = "L. W. Song and G. D. Watkins",
831 journal = "Phys. Rev. B",
834 pages = "5759--5764",
838 doi = "10.1103/PhysRevB.42.5759",
839 publisher = "American Physical Society",
840 notes = "carbon diffusion in silicon",
844 author = "A K Tipping and R C Newman",
845 title = "The diffusion coefficient of interstitial carbon in
847 journal = "Semiconductor Science and Technology",
851 URL = "http://stacks.iop.org/0268-1242/2/315",
853 notes = "diffusion coefficient of carbon interstitials in
858 title = "Carbon incorporation into Si at high concentrations by
859 ion implantation and solid phase epitaxy",
860 author = "J. W. Strane and S. R. Lee and H. J. Stein and S. T.
861 Picraux and J. K. Watanabe and J. W. Mayer",
862 journal = "J. Appl. Phys.",
867 doi = "10.1063/1.360806",
868 notes = "strained silicon, carbon supersaturation",
871 @Article{laveant2002,
872 title = "Epitaxy of carbon-rich silicon with {MBE}",
873 journal = "Materials Science and Engineering B",
879 doi = "DOI: 10.1016/S0921-5107(01)00794-2",
880 URL = "http://www.sciencedirect.com/science/article/B6TXF-44YVPGS-1V/2/024ece074ad18ebbec62a39a2510a268",
881 author = "P. Lav\'eant and G. Gerth and P. Werner and U.
883 notes = "low c in si, tensile stress to compensate compressive
884 stress, avoid sic precipitation",
888 author = "P. Werner and S. Eichler and G. Mariani and R.
889 K{\"{o}}gler and W. Skorupa",
890 title = "Investigation of {C}[sub x]Si defects in {C} implanted
891 silicon by transmission electron microscopy",
894 journal = "Applied Physics Letters",
898 keywords = "silicon; ion implantation; carbon; crystal defects;
899 transmission electron microscopy; annealing; positron
900 annihilation; secondary ion mass spectroscopy; buried
901 layers; precipitation",
902 URL = "http://link.aip.org/link/?APL/70/252/1",
903 doi = "10.1063/1.118381",
904 notes = "si-c complexes, agglomerate, sic in si matrix, sic
908 @InProceedings{werner96,
909 author = "P. Werner and R. K{\"{o}}gler and W. Skorupa and D.
911 booktitle = "Ion Implantation Technology. Proceedings of the 11th
912 International Conference on",
913 title = "{TEM} investigation of {C}-Si defects in carbon
920 keywords = "beta;-SiC precipitates;30 s;700 to 1300 C;C
921 atom/radiation induced defect interaction;C depth
922 distribution;C precipitation;C-Si defects;C-Si
923 dimers;CZ Si;HREM;Si:C;TEM;buried layer morphology;high
924 energy ion implantation;ion implantation;metastable
925 agglomerates;microdefects;positron annihilation
926 spectroscopy;rapid thermal annealing;secondary ion mass
927 spectrometry;vacancy clusters;buried
928 layers;carbon;elemental semiconductors;impurity-defect
929 interactions;ion implantation;positron
930 annihilation;precipitation;rapid thermal
931 annealing;secondary ion mass
932 spectra;silicon;transmission electron
933 microscopy;vacancies (crystal);",
934 doi = "10.1109/IIT.1996.586497",
936 notes = "c-si agglomerates dumbbells",
940 author = "J. W. Strane and H. J. Stein and S. R. Lee and S. T.
941 Picraux and J. K. Watanabe and J. W. Mayer",
943 title = "Precipitation and relaxation in strained Si[sub 1 -
944 y]{C}[sub y]/Si heterostructures",
947 journal = "Journal of Applied Physics",
950 pages = "3656--3668",
951 keywords = "SILICON CARBIDES; SILICON; PRECIPITATION; STRAINS",
952 URL = "http://link.aip.org/link/?JAP/76/3656/1",
953 doi = "10.1063/1.357429",
954 notes = "strained si-c to 3c-sic, carbon nucleation + refs,
955 precipitation by substitutional carbon, coherent prec,
956 coherent to incoherent transition strain vs interface
961 author = "G. G. Fischer and P. Zaumseil and E. Bugiel and H. J.
964 title = "Investigation of the high temperature behavior of
965 strained Si[sub 1 - y]{C}[sub y] /Si heterostructures",
968 journal = "Journal of Applied Physics",
971 pages = "1934--1937",
972 keywords = "SILICON CARBIDES; SILICON; HETEROSTRUCTURES; STRAINS;
973 XRD; MOLECULAR BEAM EPITAXY; STABILITY; TENSILE
974 PROPERTIES; EPITAXIAL LAYERS; ANNEALING; PRECIPITATION;
975 TEMPERATURE RANGE 04001000 K",
976 URL = "http://link.aip.org/link/?JAP/77/1934/1",
977 doi = "10.1063/1.358826",
981 title = "Prospects for device implementation of wide band gap
983 author = "J. H. Edgar",
984 journal = "J. Mater. Res.",
989 doi = "10.1557/JMR.1992.0235",
990 notes = "properties wide band gap semiconductor, sic
994 @Article{zirkelbach2007,
995 title = "Monte Carlo simulation study of a selforganisation
996 process leading to ordered precipitate structures",
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.2006.12.118",
1007 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
1011 @Article{zirkelbach2006,
1012 title = "Monte-Carlo simulation study of the self-organization
1013 of nanometric amorphous precipitates in regular arrays
1014 during ion irradiation",
1015 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1017 journal = "Nucl. Instr. and Meth. B",
1024 doi = "doi:10.1016/j.nimb.2005.08.162",
1025 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
1029 @Article{zirkelbach2005,
1030 title = "Modelling of a selforganization process leading to
1031 periodic arrays of nanometric amorphous precipitates by
1033 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1035 journal = "Comp. Mater. Sci.",
1042 doi = "doi:10.1016/j.commatsci.2004.12.016",
1043 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
1047 @Article{zirkelbach09,
1048 title = "Molecular dynamics simulation of defect formation and
1049 precipitation in heavily carbon doped silicon",
1050 journal = "Materials Science and Engineering: B",
1055 note = "EMRS 2008 Spring Conference Symposium K: Advanced
1056 Silicon Materials Research for Electronic and
1057 Photovoltaic Applications",
1059 doi = "DOI: 10.1016/j.mseb.2008.10.010",
1060 URL = "http://www.sciencedirect.com/science/article/B6TXF-4TX1547-2/2/cb9f4921f324735087020ccce7843e39",
1061 author = "F. Zirkelbach and J. K. N. Lindner and K. Nordlund and
1063 keywords = "Silicon",
1064 keywords = "Carbon",
1065 keywords = "Silicon carbide",
1066 keywords = "Nucleation",
1067 keywords = "Defect formation",
1068 keywords = "Molecular dynamics simulations",
1071 @Article{zirkelbach10a,
1072 title = "Defects in Carbon implanted Silicon calculated by
1073 classical potentials and first principles methods",
1074 journal = "to be published",
1079 author = "F. Zirkelbach and B. Stritzker and K. Nordlund and J.
1080 K. N. Lindner and W. G. Schmidtd and E. Rauls",
1083 @Article{zirkelbach10b,
1084 title = "Extensive first principles study of carbon defects in
1086 journal = "to be published",
1091 author = "F. Zirkelbach and B. Stritzker and K. Nordlund and J.
1092 K. N. Lindner and W. G. Schmidtd and E. Rauls",
1095 @Article{zirkelbach10c,
1097 journal = "to be published",
1102 author = "F. Zirkelbach and B. Stritzker and K. Nordlund and J.
1103 K. N. Lindner and W. G. Schmidtd and E. Rauls",
1107 title = "Controlling the density distribution of Si{C}
1108 nanocrystals for the ion beam synthesis of buried Si{C}
1110 journal = "Nuclear Instruments and Methods in Physics Research
1111 Section B: Beam Interactions with Materials and Atoms",
1118 doi = "DOI: 10.1016/S0168-583X(98)00598-9",
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1120 author = "J. K. N. Lindner and B. Stritzker",
1121 notes = "two-step implantation process",
1124 @Article{lindner99_2,
1125 title = "Mechanisms in the ion beam synthesis of Si{C} layers
1127 journal = "Nuclear Instruments and Methods in Physics Research
1128 Section B: Beam Interactions with Materials and Atoms",
1134 doi = "DOI: 10.1016/S0168-583X(98)00787-3",
1135 URL = "http://www.sciencedirect.com/science/article/B6TJN-3XGFSSH-3H/2/17d138baa6db68cb279e6de9161e5f85",
1136 author = "J. K. N. Lindner and B. Stritzker",
1137 notes = "3c-sic precipitation model, c-si dimers (dumbbells)",
1141 title = "Ion beam synthesis of buried Si{C} layers in silicon:
1142 Basic physical processes",
1143 journal = "Nuclear Instruments and Methods in Physics Research
1144 Section B: Beam Interactions with Materials and Atoms",
1151 doi = "DOI: 10.1016/S0168-583X(01)00504-3",
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1153 author = "J{\"{o}}rg K. N. Lindner",
1157 title = "High-dose carbon implantations into silicon:
1158 fundamental studies for new technological tricks",
1159 author = "J. K. N. Lindner",
1160 journal = "Appl. Phys. A",
1164 doi = "10.1007/s00339-002-2062-8",
1165 notes = "ibs, burried sic layers",
1169 title = "On the balance between ion beam induced nanoparticle
1170 formation and displacive precipitate resolution in the
1172 journal = "Materials Science and Engineering: C",
1177 note = "Current Trends in Nanoscience - from Materials to
1180 doi = "DOI: 10.1016/j.msec.2005.09.099",
1181 URL = "http://www.sciencedirect.com/science/article/B6TXG-4HSXVVM-1/2/5b0e351198cc2e8f5f4446a80a73d04a",
1182 author = "J. K. N. Lindner and M. Häberlen and G. Thorwarth and
1184 notes = "c int diffusion barrier",
1188 title = "Ion beam synthesis of 3{C}-Si{C} layers in Si and its
1189 application in buffer layer for Ga{N} epitaxial
1191 journal = "Applied Surface Science",
1196 note = "APHYS'03 Special Issue",
1198 doi = "DOI: 10.1016/j.apsusc.2004.05.199",
1199 URL = "http://www.sciencedirect.com/science/article/B6THY-4CTTNGX-B/2/d24ee637db87f3f1a6ef7fe6820f267c",
1200 author = "Y. Ito and T. Yamauchi and A. Yamamoto and M. Sasase
1201 and S. Nishio and K. Yasuda and Y. Ishigami",
1202 notes = "gan on 3c-sic",
1206 author = "B. J. Alder and T. E. Wainwright",
1207 title = "Phase Transition for a Hard Sphere System",
1210 journal = "The Journal of Chemical Physics",
1213 pages = "1208--1209",
1214 URL = "http://link.aip.org/link/?JCP/27/1208/1",
1215 doi = "10.1063/1.1743957",
1219 author = "B. J. Alder and T. E. Wainwright",
1220 title = "Studies in Molecular Dynamics. {I}. General Method",
1223 journal = "The Journal of Chemical Physics",
1227 URL = "http://link.aip.org/link/?JCP/31/459/1",
1228 doi = "10.1063/1.1730376",
1231 @Article{tersoff_si1,
1232 title = "New empirical model for the structural properties of
1234 author = "J. Tersoff",
1235 journal = "Phys. Rev. Lett.",
1242 doi = "10.1103/PhysRevLett.56.632",
1243 publisher = "American Physical Society",
1246 @Article{tersoff_si2,
1247 title = "New empirical approach for the structure and energy of
1249 author = "J. Tersoff",
1250 journal = "Phys. Rev. B",
1253 pages = "6991--7000",
1257 doi = "10.1103/PhysRevB.37.6991",
1258 publisher = "American Physical Society",
1261 @Article{tersoff_si3,
1262 title = "Empirical interatomic potential for silicon with
1263 improved elastic properties",
1264 author = "J. Tersoff",
1265 journal = "Phys. Rev. B",
1268 pages = "9902--9905",
1272 doi = "10.1103/PhysRevB.38.9902",
1273 publisher = "American Physical Society",
1277 title = "Empirical Interatomic Potential for Carbon, with
1278 Applications to Amorphous Carbon",
1279 author = "J. Tersoff",
1280 journal = "Phys. Rev. Lett.",
1283 pages = "2879--2882",
1287 doi = "10.1103/PhysRevLett.61.2879",
1288 publisher = "American Physical Society",
1292 title = "Modeling solid-state chemistry: Interatomic potentials
1293 for multicomponent systems",
1294 author = "J. Tersoff",
1295 journal = "Phys. Rev. B",
1298 pages = "5566--5568",
1302 doi = "10.1103/PhysRevB.39.5566",
1303 publisher = "American Physical Society",
1307 title = "Carbon defects and defect reactions in silicon",
1308 author = "J. Tersoff",
1309 journal = "Phys. Rev. Lett.",
1312 pages = "1757--1760",
1316 doi = "10.1103/PhysRevLett.64.1757",
1317 publisher = "American Physical Society",
1321 title = "Point defects and dopant diffusion in silicon",
1322 author = "P. M. Fahey and P. B. Griffin and J. D. Plummer",
1323 journal = "Rev. Mod. Phys.",
1330 doi = "10.1103/RevModPhys.61.289",
1331 publisher = "American Physical Society",
1335 title = "Silicon carbide: synthesis and processing",
1336 journal = "Nuclear Instruments and Methods in Physics Research
1337 Section B: Beam Interactions with Materials and Atoms",
1342 note = "Radiation Effects in Insulators",
1344 doi = "DOI: 10.1016/0168-583X(96)00065-1",
1345 URL = "http://www.sciencedirect.com/science/article/B6TJN-3VXHNFT-C7/2/4216cb1ec9e422c22de5fed7360fb06e",
1346 author = "W. Wesch",
1350 author = "H. Morko\c{c} and S. Strite and G. B. Gao and M. E.
1351 Lin and B. Sverdlov and M. Burns",
1353 title = "Large-band-gap Si{C}, {III}-{V} nitride, and {II}-{VI}
1354 ZnSe-based semiconductor device technologies",
1357 journal = "Journal of Applied Physics",
1360 pages = "1363--1398",
1361 keywords = "SEMICONDUCTOR DEVICES; SILICON CARBIDES; GALLIUM
1362 NITRIDES; ZINC SELENIDES; SUBSTRATES; MOS JUNCTIONS;
1363 LASER MATERIALS; MATERIALS; REVIEWS; ENERGY GAP; THIN
1365 URL = "http://link.aip.org/link/?JAP/76/1363/1",
1366 doi = "10.1063/1.358463",
1367 notes = "sic intro, properties",
1371 author = "P. G. Neudeck",
1372 title = "{PROGRESS} {IN} {SILICON}-{CARBIDE} {SEMICONDUCTOR}
1373 {ELECTRONICS} {TECHNOLOGY}",
1374 journal = "Journal of Electronic Materials",
1383 author = "Noch Unbekannt",
1384 title = "How to find references",
1385 journal = "Journal of Applied References",
1392 title = "Atomistic simulation of thermomechanical properties of
1394 author = "Meijie Tang and Sidney Yip",
1395 journal = "Phys. Rev. B",
1398 pages = "15150--15159",
1401 doi = "10.1103/PhysRevB.52.15150",
1402 notes = "modified tersoff, scale cutoff with volume, promising
1403 tersoff reparametrization",
1404 publisher = "American Physical Society",
1408 title = "Silicon carbide as a new {MEMS} technology",
1409 journal = "Sensors and Actuators A: Physical",
1415 doi = "DOI: 10.1016/S0924-4247(99)00335-0",
1416 URL = "http://www.sciencedirect.com/science/article/B6THG-406VM55-13/2/75385a587669b215d9ef88029a93fd59",
1417 author = "Pasqualina M. Sarro",
1419 keywords = "Silicon carbide",
1420 keywords = "Micromachining",
1421 keywords = "Mechanical stress",
1425 title = "Status of silicon carbide (Si{C}) as a wide-bandgap
1426 semiconductor for high-temperature applications: {A}
1428 journal = "Solid-State Electronics",
1431 pages = "1409--1422",
1434 doi = "DOI: 10.1016/0038-1101(96)00045-7",
1435 URL = "http://www.sciencedirect.com/science/article/B6TY5-3VSR9J0-1/2/a871c11636e937dc45bfdf48e29f725b",
1436 author = "J. B. Casady and R. W. Johnson",
1437 notes = "sic intro",
1440 @Article{giancarli98,
1441 title = "Design requirements for Si{C}/Si{C} composites
1442 structural material in fusion power reactor blankets",
1443 journal = "Fusion Engineering and Design",
1449 doi = "DOI: 10.1016/S0920-3796(97)00200-7",
1450 URL = "http://www.sciencedirect.com/science/article/B6V3C-3V8RYK8-T/2/16949194114900fd1330f79892d7a7be",
1451 author = "L. Giancarli and J. P. Bonal and A. Caso and G. Le
1452 Marois and N. B. Morley and J. F. Salavy",
1456 title = "Electrical and optical characterization of Si{C}",
1457 journal = "Physica B: Condensed Matter",
1463 doi = "DOI: 10.1016/0921-4526(93)90249-6",
1464 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8HRX-99/2/eab9398bf2bbf10df3ae42c2ab28a776",
1465 author = "G. Pensl and W. J. Choyke",
1469 title = "Investigation of growth processes of ingots of silicon
1470 carbide single crystals",
1471 journal = "Journal of Crystal Growth",
1476 notes = "modified lely process",
1478 doi = "DOI: 10.1016/0022-0248(78)90169-0",
1479 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BY2NR-7S/2/fa6fee78ebd8322491f6366e72d5b6dc",
1480 author = "Yu. M. Tairov and V. F. Tsvetkov",
1484 author = "Shigehiro Nishino and J. Anthony Powell and Herbert A.
1487 title = "Production of large-area single-crystal wafers of
1488 cubic Si{C} for semiconductor devices",
1491 journal = "Applied Physics Letters",
1495 keywords = "silicon carbides; layers; chemical vapor deposition;
1497 URL = "http://link.aip.org/link/?APL/42/460/1",
1498 doi = "10.1063/1.93970",
1499 notes = "cvd of 3c-sic on si, sic buffer layer",
1503 author = "Shigehiro Nishino and Hajime Suhara and Hideyuki Ono
1504 and Hiroyuki Matsunami",
1506 title = "Epitaxial growth and electric characteristics of cubic
1510 journal = "Journal of Applied Physics",
1513 pages = "4889--4893",
1514 URL = "http://link.aip.org/link/?JAP/61/4889/1",
1515 doi = "10.1063/1.338355",
1516 notes = "cvd of 3c-sic on si, sic buffer layer, first time
1521 author = "J. Anthony Powell and Lawrence G. Matus and Maria A.
1523 title = "Growth and Characterization of Cubic Si{C}
1524 Single-Crystal Films on Si",
1527 journal = "Journal of The Electrochemical Society",
1530 pages = "1558--1565",
1531 keywords = "semiconductor materials; silicon compounds; carbon
1532 compounds; crystal morphology; electron mobility",
1533 URL = "http://link.aip.org/link/?JES/134/1558/1",
1534 doi = "10.1149/1.2100708",
1535 notes = "blue light emitting diodes (led)",
1539 author = "Tsunenobu Kimoto and Hironori Nishino and Woo Sik Yoo
1540 and Hiroyuki Matsunami",
1541 title = "Growth mechanism of 6{H}-Si{C} in step-controlled
1545 journal = "Journal of Applied Physics",
1549 keywords = "SILICON CARBIDES; EPITAXY; GROWTH RATE; TEMPERATURE
1550 RANGE 10004000 K; TWINNING; ACTIVATION ENERGY; CHEMICAL
1552 URL = "http://link.aip.org/link/?JAP/73/726/1",
1553 doi = "10.1063/1.353329",
1554 notes = "cvd of 6h-sic on 6h-sic, twinned 3c-sic",
1558 author = "J. A. Powell and D. J. Larkin and L. G. Matus and W.
1559 J. Choyke and J. L. Bradshaw and L. Henderson and M.
1560 Yoganathan and J. Yang and P. Pirouz",
1562 title = "Growth of improved quality 3{C}-Si{C} films on
1563 6{H}-Si{C} substrates",
1566 journal = "Applied Physics Letters",
1569 pages = "1353--1355",
1570 keywords = "SILICON CARBIDES; CHEMICAL VAPOR DEPOSITION; SORPTIVE
1571 PROPERTIES; PHOTOLUMINESCENCE; TRANSMISSION ELECTRON
1572 MICROSCOPY; DEFECT STRUCTURE; STACKING FAULTS; VAPOR
1574 URL = "http://link.aip.org/link/?APL/56/1353/1",
1575 doi = "10.1063/1.102512",
1576 notes = "cvd of 3c-sic on 6h-sic",
1580 author = "C. Yuan and A. J. Steckl and J. Chaudhuri and R.
1581 Thokala and M. J. Loboda",
1583 title = "Reduced temperature growth of crystalline 3{C}-Si{C}
1584 films on 6{H}-Si{C} by chemical vapor deposition from
1588 journal = "Journal of Applied Physics",
1591 pages = "1271--1273",
1592 keywords = "SILICON CARBIDES; THIN FILMS; CVD; EPITAXY; ABSORPTION
1593 EDGE; CRYSTAL STRUCTURE; STRAINS; DISLOCATIONS; XRD;
1595 URL = "http://link.aip.org/link/?JAP/78/1271/1",
1596 doi = "10.1063/1.360368",
1597 notes = "3c-sic on 6h-sic, cvd, reduced temperature",
1601 title = "Epitaxial growth of Si{C} thin films on Si-stabilized
1602 [alpha]-Si{C}(0001) at low temperatures by solid-source
1603 molecular beam epitaxy",
1604 journal = "Journal of Crystal Growth",
1610 doi = "DOI: 10.1016/0022-0248(95)00170-0",
1611 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3Y5MMXM-1N/2/65549019b878bf02d5ec645b7eea9e98",
1612 author = "A. Fissel and U. Kaiser and E. Ducke and B.
1613 Schr{\"{o}}ter and W. Richter",
1614 notes = "solid source mbe of 3c-sic on si and 6h-sic",
1617 @Article{fissel95_apl,
1618 author = "A. Fissel and B. Schr{\"{o}}ter and W. Richter",
1620 title = "Low-temperature growth of Si{C} thin films on Si and
1621 6{H}--Si{C} by solid-source molecular beam epitaxy",
1624 journal = "Applied Physics Letters",
1627 pages = "3182--3184",
1628 keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
1630 URL = "http://link.aip.org/link/?APL/66/3182/1",
1631 doi = "10.1063/1.113716",
1632 notes = "mbe 3c-sic on si and 6h-sic",
1636 author = "J. A. Borders and S. T. Picraux and W. Beezhold",
1638 title = "{FORMATION} {OF} Si{C} {IN} {SILICON} {BY} {ION}
1642 journal = "Applied Physics Letters",
1646 URL = "http://link.aip.org/link/?APL/18/509/1",
1647 doi = "10.1063/1.1653516",
1648 notes = "first time sic by ibs, follow cites for precipitation
1653 author = "K. J. Reeson and P. L. F. Hemment and J. Stoemenos and
1654 J. Davis and G. E. Celler",
1656 title = "Formation of buried layers of beta-Si{C} using ion
1657 beam synthesis and incoherent lamp annealing",
1660 journal = "Applied Physics Letters",
1663 pages = "2242--2244",
1664 keywords = "SILICON CARBIDES; FILM GROWTH; SOLIDPHASE EPITAXY; ION
1665 IMPLANTATION; CARBON IONS; DOPING PROFILES; SYNTHESIS",
1666 URL = "http://link.aip.org/link/?APL/51/2242/1",
1667 doi = "10.1063/1.98953",
1668 notes = "nice tem images, sic by ibs",
1672 author = "R. I. Scace and G. A. Slack",
1674 title = "Solubility of Carbon in Silicon and Germanium",
1677 journal = "The Journal of Chemical Physics",
1680 pages = "1551--1555",
1681 URL = "http://link.aip.org/link/?JCP/30/1551/1",
1682 doi = "10.1063/1.1730236",
1683 notes = "solubility of c in c-si, si-c phase diagram",
1687 author = "N. E. B. Cowern and A. Cacciato and J. S. Custer and
1688 F. W. Saris and W. Vandervorst",
1690 title = "Role of {C} and {B} clusters in transient diffusion of
1694 journal = "Applied Physics Letters",
1697 pages = "1150--1152",
1698 keywords = "ATOMIC CLUSTERS; BORON ADDITIONS; CRYSTAL DOPING;
1699 DIFFUSION; DOPED MATERIALS; IMPURITIES; INTERSTITIALS;
1701 URL = "http://link.aip.org/link/?APL/68/1150/1",
1702 doi = "10.1063/1.115706",
1703 notes = "suppression of transient enhanced diffusion (ted)",
1707 title = "Implantation and transient boron diffusion: the role
1708 of the silicon self-interstitial",
1709 journal = "Nuclear Instruments and Methods in Physics Research
1710 Section B: Beam Interactions with Materials and Atoms",
1715 note = "Selected Papers of the Tenth International Conference
1716 on Ion Implantation Technology (IIT '94)",
1718 doi = "DOI: 10.1016/0168-583X(94)00481-1",
1719 URL = "http://www.sciencedirect.com/science/article/B6TJN-40WKY1P-29/2/602c6e5b809221323d2d2968edd0a71c",
1720 author = "P. A. Stolk and H. -J. Gossmann and D. J. Eaglesham
1725 author = "P. A. Stolk and H.-J. Gossmann and D. J. Eaglesham and
1726 D. C. Jacobson and C. S. Rafferty and G. H. Gilmer and
1727 M. Jara\'{\i}z and J. M. Poate and H. S. Luftman and T.
1730 title = "Physical mechanisms of transient enhanced dopant
1731 diffusion in ion-implanted silicon",
1734 journal = "Journal of Applied Physics",
1737 pages = "6031--6050",
1738 URL = "http://link.aip.org/link/?JAP/81/6031/1",
1739 doi = "10.1063/1.364452",
1740 notes = "ted, transient enhanced diffusion, c silicon trap",
1744 author = "A. R. Powell and F. K. LeGoues and S. S. Iyer",
1746 title = "Formation of beta-Si{C} nanocrystals by the relaxation
1747 of Si[sub 1 - y]{C}[sub y] random alloy layers",
1750 journal = "Applied Physics Letters",
1754 keywords = "SILICON CARBIDES; NANOSTRUCTURES; DISPERSIONS;
1755 EPITAXIAL LAYERS; STRESS RELAXATION; ANNEALING;
1756 TEMPERATURE EFFECTS; PRECIPITATION; DISLOCATIONS;
1758 URL = "http://link.aip.org/link/?APL/64/324/1",
1759 doi = "10.1063/1.111195",
1760 notes = "beta sic nano crystals in si, mbe, annealing",
1764 author = "Richard A. Soref",
1766 title = "Optical band gap of the ternary semiconductor Si[sub 1
1767 - x - y]Ge[sub x]{C}[sub y]",
1770 journal = "Journal of Applied Physics",
1773 pages = "2470--2472",
1774 keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; ENERGY GAP;
1775 OPTICAL PROPERTIES; DIAMONDS; SEMICONDUCTOR ALLOYS;
1777 URL = "http://link.aip.org/link/?JAP/70/2470/1",
1778 doi = "10.1063/1.349403",
1779 notes = "band gap of strained si by c",
1783 author = "E Kasper",
1784 title = "Superlattices of group {IV} elements, a new
1785 possibility to produce direct band gap material",
1786 journal = "Physica Scripta",
1789 URL = "http://stacks.iop.org/1402-4896/T35/232",
1791 notes = "superlattices, convert indirect band gap into a
1796 author = "H. J. Osten and J. Griesche and S. Scalese",
1798 title = "Substitutional carbon incorporation in epitaxial
1799 Si[sub 1 - y]{C}[sub y] alloys on Si(001) grown by
1800 molecular beam epitaxy",
1803 journal = "Applied Physics Letters",
1807 keywords = "molecular beam epitaxial growth; semiconductor growth;
1808 wide band gap semiconductors; interstitials; silicon
1810 URL = "http://link.aip.org/link/?APL/74/836/1",
1811 doi = "10.1063/1.123384",
1812 notes = "substitutional c in si",
1815 @Article{hohenberg64,
1816 title = "Inhomogeneous Electron Gas",
1817 author = "P. Hohenberg and W. Kohn",
1818 journal = "Phys. Rev.",
1821 pages = "B864--B871",
1825 doi = "10.1103/PhysRev.136.B864",
1826 publisher = "American Physical Society",
1827 notes = "density functional theory, dft",
1831 title = "Self-Consistent Equations Including Exchange and
1832 Correlation Effects",
1833 author = "W. Kohn and L. J. Sham",
1834 journal = "Phys. Rev.",
1837 pages = "A1133--A1138",
1841 doi = "10.1103/PhysRev.140.A1133",
1842 publisher = "American Physical Society",
1843 notes = "dft, exchange and correlation",
1847 title = "Strain-stabilized highly concentrated pseudomorphic
1848 $Si1-x$$Cx$ layers in Si",
1849 author = "H. R{\"u}cker and M. Methfessel and E. Bugiel and H.
1851 journal = "Phys. Rev. Lett.",
1854 pages = "3578--3581",
1858 doi = "10.1103/PhysRevLett.72.3578",
1859 publisher = "American Physical Society",
1860 notes = "high c concentration in si, heterostructure, starined
1865 title = "Electron Transport Model for Strained Silicon-Carbon
1867 author = "Shu-Tong Chang and Chung-Yi Lin",
1868 journal = "Japanese Journal of Applied Physics",
1871 pages = "2257--2262",
1874 URL = "http://jjap.ipap.jp/link?JJAP/44/2257/",
1875 doi = "10.1143/JJAP.44.2257",
1876 publisher = "The Japan Society of Applied Physics",
1877 notes = "enhance of electron mobility in starined si",
1881 author = "H. J. Osten and P. Gaworzewski",
1883 title = "Charge transport in strained Si[sub 1 - y]{C}[sub y]
1884 and Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloys on
1888 journal = "Journal of Applied Physics",
1891 pages = "4977--4981",
1892 keywords = "silicon compounds; Ge-Si alloys; wide band gap
1893 semiconductors; semiconductor epitaxial layers; carrier
1894 density; Hall mobility; interstitials; defect states",
1895 URL = "http://link.aip.org/link/?JAP/82/4977/1",
1896 doi = "10.1063/1.366364",
1897 notes = "charge transport in strained si",
1901 title = "Carbon-mediated aggregation of self-interstitials in
1902 silicon: {A} large-scale molecular dynamics study",
1903 author = "Sumeet S. Kapur and Manish Prasad and Talid Sinno",
1904 journal = "Phys. Rev. B",
1911 doi = "10.1103/PhysRevB.69.155214",
1912 publisher = "American Physical Society",
1913 notes = "simulation using promising tersoff reparametrization",
1917 title = "Event-Based Relaxation of Continuous Disordered
1919 author = "G. T. Barkema and Normand Mousseau",
1920 journal = "Phys. Rev. Lett.",
1923 pages = "4358--4361",
1927 doi = "10.1103/PhysRevLett.77.4358",
1928 publisher = "American Physical Society",
1929 notes = "activation relaxation technique, art, speed up slow
1934 author = "E. Canc\`{e}s and F. Legoll and M.-C. Marinica and K.
1935 Minoukadeh and F. Willaime",
1937 title = "Some improvements of the activation-relaxation
1938 technique method for finding transition pathways on
1939 potential energy surfaces",
1942 journal = "The Journal of Chemical Physics",
1948 keywords = "eigenvalues and eigenfunctions; iron; potential energy
1949 surfaces; vacancies (crystal)",
1950 URL = "http://link.aip.org/link/?JCP/130/114711/1",
1951 doi = "10.1063/1.3088532",
1952 notes = "improvements to art, refs for methods to find
1953 transition pathways",
1956 @Article{parrinello81,
1957 author = "M. Parrinello and A. Rahman",
1959 title = "Polymorphic transitions in single crystals: {A} new
1960 molecular dynamics method",
1963 journal = "Journal of Applied Physics",
1966 pages = "7182--7190",
1967 keywords = "MONOCRYSTALS; PHASE TRANSFORMATIONS; STRUCTURAL
1968 MODELS; DYNAMICS; THEORETICAL DATA; STRESSES;
1969 CONFIGURATION; LAGRANGE EQUATIONS; SIZE; NICKEL;
1970 COMPRESSION; TENSILE PROPERTIES; COMPARATIVE
1971 EVALUATIONS; STRAINS; CUBIC LATTICES; HCP LATTICES;
1973 URL = "http://link.aip.org/link/?JAP/52/7182/1",
1974 doi = "10.1063/1.328693",
1977 @Article{stillinger85,
1978 title = "Computer simulation of local order in condensed phases
1980 author = "Frank H. Stillinger and Thomas A. Weber",
1981 journal = "Phys. Rev. B",
1984 pages = "5262--5271",
1988 doi = "10.1103/PhysRevB.31.5262",
1989 publisher = "American Physical Society",
1993 title = "Empirical potential for hydrocarbons for use in
1994 simulating the chemical vapor deposition of diamond
1996 author = "Donald W. Brenner",
1997 journal = "Phys. Rev. B",
2000 pages = "9458--9471",
2004 doi = "10.1103/PhysRevB.42.9458",
2005 publisher = "American Physical Society",
2006 notes = "brenner hydro carbons",
2010 title = "Modeling of Covalent Bonding in Solids by Inversion of
2011 Cohesive Energy Curves",
2012 author = "Martin Z. Bazant and Efthimios Kaxiras",
2013 journal = "Phys. Rev. Lett.",
2016 pages = "4370--4373",
2020 doi = "10.1103/PhysRevLett.77.4370",
2021 publisher = "American Physical Society",
2022 notes = "first si edip",
2026 title = "Environment-dependent interatomic potential for bulk
2028 author = "Martin Z. Bazant and Efthimios Kaxiras and J. F.
2030 journal = "Phys. Rev. B",
2033 pages = "8542--8552",
2037 doi = "10.1103/PhysRevB.56.8542",
2038 publisher = "American Physical Society",
2039 notes = "second si edip",
2043 title = "Interatomic potential for silicon defects and
2045 author = "Jo\tilde{a}o F. Justo and Martin Z. Bazant and
2046 Efthimios Kaxiras and V. V. Bulatov and Sidney Yip",
2047 journal = "Phys. Rev. B",
2050 pages = "2539--2550",
2054 doi = "10.1103/PhysRevB.58.2539",
2055 publisher = "American Physical Society",
2056 notes = "latest si edip, good dislocation explanation",
2060 title = "{PARCAS} molecular dynamics code",
2061 author = "K. Nordlund",
2066 title = "Hyperdynamics: Accelerated Molecular Dynamics of
2068 author = "Arthur F. Voter",
2069 journal = "Phys. Rev. Lett.",
2072 pages = "3908--3911",
2076 doi = "10.1103/PhysRevLett.78.3908",
2077 publisher = "American Physical Society",
2078 notes = "hyperdynamics, accelerated md",
2082 author = "Arthur F. Voter",
2084 title = "A method for accelerating the molecular dynamics
2085 simulation of infrequent events",
2088 journal = "The Journal of Chemical Physics",
2091 pages = "4665--4677",
2092 keywords = "COMPUTERIZED SIMULATION; NICKEL; DIFFUSION; ATOM
2093 TRANSPORT; MOLECULAR ORBITAL METHOD; POTENTIAL ENERGY;
2094 SURFACE POTENTIAL; MOLECULAR DYNAMICS METHOD; potential
2095 energy functions; surface diffusion; reaction kinetics
2096 theory; potential energy surfaces",
2097 URL = "http://link.aip.org/link/?JCP/106/4665/1",
2098 doi = "10.1063/1.473503",
2099 notes = "improved hyperdynamics md",
2102 @Article{sorensen2000,
2103 author = "Mads R. S\o rensen and Arthur F. Voter",
2105 title = "Temperature-accelerated dynamics for simulation of
2109 journal = "The Journal of Chemical Physics",
2112 pages = "9599--9606",
2113 keywords = "SOLID STATE PHYSICS; SIMULATION; DIFFUSION; SURFACES;
2114 MOLECULAR DYNAMICS METHOD; surface diffusion",
2115 URL = "http://link.aip.org/link/?JCP/112/9599/1",
2116 doi = "10.1063/1.481576",
2117 notes = "temperature accelerated dynamics, tad",
2121 title = "Parallel replica method for dynamics of infrequent
2123 author = "Arthur F. Voter",
2124 journal = "Phys. Rev. B",
2127 pages = "R13985--R13988",
2131 doi = "10.1103/PhysRevB.57.R13985",
2132 publisher = "American Physical Society",
2133 notes = "parallel replica method, accelerated md",
2137 author = "Xiongwu Wu and Shaomeng Wang",
2139 title = "Enhancing systematic motion in molecular dynamics
2143 journal = "The Journal of Chemical Physics",
2146 pages = "9401--9410",
2147 keywords = "molecular dynamics method; argon; Lennard-Jones
2148 potential; crystallisation; liquid theory",
2149 URL = "http://link.aip.org/link/?JCP/110/9401/1",
2150 doi = "10.1063/1.478948",
2151 notes = "self guided md, sgmd, accelerated md, enhancing
2155 @Article{choudhary05,
2156 author = "Devashish Choudhary and Paulette Clancy",
2158 title = "Application of accelerated molecular dynamics schemes
2159 to the production of amorphous silicon",
2162 journal = "The Journal of Chemical Physics",
2168 keywords = "molecular dynamics method; silicon; glass structure;
2169 amorphous semiconductors",
2170 URL = "http://link.aip.org/link/?JCP/122/154509/1",
2171 doi = "10.1063/1.1878733",
2172 notes = "explanation of sgmd and hyper md, applied to amorphous
2177 author = "W. J. Taylor and T. Y. Tan and U. G{\"{o}}sele",
2179 title = "Carbon precipitation in silicon: Why is it so
2183 journal = "Applied Physics Letters",
2186 pages = "3336--3338",
2187 keywords = "SILICON; CARBON ADDITIONS; OXYGEN ADDITIONS; DOPED
2188 MATERIALS; PRECIPITATION; THERMODYNAMICS; SURFACE
2190 URL = "http://link.aip.org/link/?APL/62/3336/1",
2191 doi = "10.1063/1.109063",
2192 notes = "interfacial energy of cubic sic and si",
2195 @Article{chaussende08,
2196 title = "Prospects for 3{C}-Si{C} bulk crystal growth",
2197 journal = "Journal of Crystal Growth",
2202 note = "Proceedings of the E-MRS Conference, Symposium G -
2203 Substrates of Wide Bandgap Materials",
2205 doi = "DOI: 10.1016/j.jcrysgro.2007.11.140",
2206 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4R7J67S-F/2/e92fc194b652409f5b119393d608b082",
2207 author = "D. Chaussende and F. Mercier and A. Boulle and F.
2208 Conchon and M. Soueidan and G. Ferro and A. Mantzari
2209 and A. Andreadou and E. K. Polychroniadis and C.
2210 Balloud and S. Juillaguet and J. Camassel and M. Pons",
2211 notes = "3c-sic crystal growth, sic fabrication + links,
2216 title = "Forces in Molecules",
2217 author = "R. P. Feynman",
2218 journal = "Phys. Rev.",
2225 doi = "10.1103/PhysRev.56.340",
2226 publisher = "American Physical Society",
2227 notes = "hellmann feynman forces",
2231 title = "Bonding Arrangements at the $Si-Si{O}_{2}$ and
2232 $Si{C}-Si{O}_{2}$ Interfaces and a Possible Origin of
2233 their Contrasting Properties",
2234 author = "Ryszard Buczko and Stephen J. Pennycook and Sokrates
2236 journal = "Phys. Rev. Lett.",
2243 doi = "10.1103/PhysRevLett.84.943",
2244 publisher = "American Physical Society",
2245 notes = "si sio2 and sic sio2 interface",
2248 @Article{djurabekova08,
2249 title = "Atomistic simulation of the interface structure of Si
2250 nanocrystals embedded in amorphous silica",
2251 author = "Flyura Djurabekova and Kai Nordlund",
2252 journal = "Phys. Rev. B",
2259 doi = "10.1103/PhysRevB.77.115325",
2260 publisher = "American Physical Society",
2261 notes = "nc-si in sio2, interface energy, nc construction,
2262 angular distribution, coordination",
2266 author = "C. Wen and Y. M. Wang and W. Wan and F. H. Li and J.
2267 W. Liang and J. Zou",
2269 title = "Nature of interfacial defects and their roles in
2270 strain relaxation at highly lattice mismatched
2271 3{C}-Si{C}/Si (001) interface",
2274 journal = "Journal of Applied Physics",
2280 keywords = "anelastic relaxation; crystal structure; dislocations;
2281 elemental semiconductors; semiconductor growth;
2282 semiconductor thin films; silicon; silicon compounds;
2283 stacking faults; wide band gap semiconductors",
2284 URL = "http://link.aip.org/link/?JAP/106/073522/1",
2285 doi = "10.1063/1.3234380",
2286 notes = "sic/si interface, follow refs, tem image
2287 deconvolution, dislocation defects",
2290 @Article{kitabatake93,
2291 author = "Makoto Kitabatake and Masahiro Deguchi and Takashi
2294 title = "Simulations and experiments of Si{C} heteroepitaxial
2295 growth on Si(001) surface",
2298 journal = "Journal of Applied Physics",
2301 pages = "4438--4445",
2302 keywords = "SILICON CARBIDES; FILM GROWTH; SIMULATION; MOLECULAR
2303 BEAM EPITAXY; MOLECULAR DYNAMICS CALCULATIONS; SILICON;
2304 MICROSTRUCTURE; ULTRAVIOLET RADIATION; IRRADIATION",
2305 URL = "http://link.aip.org/link/?JAP/74/4438/1",
2306 doi = "10.1063/1.354385",
2307 notes = "mbe and md of sic growth on si, 4 to 5 shrinkage
2312 title = "Strain relaxation and thermal stability of the
2313 3{C}-Si{C}(001)/Si(001) interface: {A} molecular
2315 journal = "Thin Solid Films",
2322 doi = "DOI: 10.1016/S0040-6090(96)09257-7",
2323 URL = "http://www.sciencedirect.com/science/article/B6TW0-41WBB52-C/2/6ef684a04d02dd3b108f972377cde8f4",
2324 author = "V. Chirita and L. Hultman and L. R. Wallenberg",
2325 keywords = "Strain relaxation",
2326 keywords = "Interfaces",
2327 keywords = "Thermal stability",
2328 keywords = "Molecular dynamics",
2329 notes = "tersoff sic/si interface study",
2333 title = "Ab initio Study of Misfit Dislocations at the
2334 $Si{C}/Si(001)$ Interface",
2335 author = "Giancarlo Cicero and Laurent Pizzagalli and Alessandra
2337 journal = "Phys. Rev. Lett.",
2344 doi = "10.1103/PhysRevLett.89.156101",
2345 publisher = "American Physical Society",
2346 notes = "sic/si interface study",
2349 @Article{pizzagalli03,
2350 title = "Theoretical investigations of a highly mismatched
2351 interface: Si{C}/Si(001)",
2352 author = "Laurent Pizzagalli and Giancarlo Cicero and Alessandra
2354 journal = "Phys. Rev. B",
2361 doi = "10.1103/PhysRevB.68.195302",
2362 publisher = "American Physical Society",
2363 notes = "tersoff md and ab initio sic/si interface study",
2367 title = "Atomic configurations of dislocation core and twin
2368 boundaries in $ 3{C}-Si{C} $ studied by high-resolution
2369 electron microscopy",
2370 author = "C. Y. Tang and F. H. Li and R. Wang and J. Zou and X.
2371 H. Zheng and J. W. Liang",
2372 journal = "Phys. Rev. B",
2379 doi = "10.1103/PhysRevB.75.184103",
2380 publisher = "American Physical Society",
2381 notes = "hrem image deconvolution on 3c-sic on si, distinguish
2385 @Article{hornstra58,
2386 title = "Dislocations in the diamond lattice",
2387 journal = "Journal of Physics and Chemistry of Solids",
2394 doi = "DOI: 10.1016/0022-3697(58)90138-0",
2395 URL = "http://www.sciencedirect.com/science/article/B6TXR-46MMPHJ-10D/2/7176c01c29cd4e73faa26ab2aacdcea5",
2396 author = "J. Hornstra",
2397 notes = "dislocations in diamond lattice",
2400 @Article{eichhorn99,
2401 author = "F. Eichhorn and N. Schell and W. Matz and R.
2404 title = "Strain and Si{C} particle formation in silicon
2405 implanted with carbon ions of medium fluence studied by
2406 synchrotron x-ray diffraction",
2409 journal = "Journal of Applied Physics",
2412 pages = "4184--4187",
2413 keywords = "silicon; carbon; elemental semiconductors; chemical
2414 interdiffusion; ion implantation; X-ray diffraction;
2415 precipitation; semiconductor doping",
2416 URL = "http://link.aip.org/link/?JAP/86/4184/1",
2417 doi = "10.1063/1.371344",
2418 notes = "sic conversion by ibs, detected substitutional carbon,
2419 expansion of si lattice",
2422 @Article{eichhorn02,
2423 author = "F. Eichhorn and N. Schell and A. M{\"{u}}cklich and H.
2424 Metzger and W. Matz and R. K{\"{o}}gler",
2426 title = "Structural relation between Si and Si{C} formed by
2427 carbon ion implantation",
2430 journal = "Journal of Applied Physics",
2433 pages = "1287--1292",
2434 keywords = "silicon compounds; wide band gap semiconductors; ion
2435 implantation; annealing; X-ray scattering; transmission
2436 electron microscopy",
2437 URL = "http://link.aip.org/link/?JAP/91/1287/1",
2438 doi = "10.1063/1.1428105",
2439 notes = "3c-sic alignement to si host in ibs depending on
2440 temperature, might explain c int to c sub trafo",
2444 author = "G Lucas and M Bertolus and L Pizzagalli",
2445 title = "An environment-dependent interatomic potential for
2446 silicon carbide: calculation of bulk properties,
2447 high-pressure phases, point and extended defects, and
2448 amorphous structures",
2449 journal = "Journal of Physics: Condensed Matter",
2453 URL = "http://stacks.iop.org/0953-8984/22/i=3/a=035802",
2459 author = "J Godet and L Pizzagalli and S Brochard and P
2461 title = "Comparison between classical potentials and ab initio
2462 methods for silicon under large shear",
2463 journal = "Journal of Physics: Condensed Matter",
2467 URL = "http://stacks.iop.org/0953-8984/15/i=41/a=004",
2469 notes = "comparison of empirical potentials, stillinger weber,
2470 edip, tersoff, ab initio",
2473 @Article{moriguchi98,
2474 title = "Verification of Tersoff's Potential for Static
2475 Structural Analysis of Solids of Group-{IV} Elements",
2476 author = "Koji Moriguchi and Akira Shintani",
2477 journal = "Japanese Journal of Applied Physics",
2479 number = "Part 1, No. 2",
2483 URL = "http://jjap.ipap.jp/link?JJAP/37/414/",
2484 doi = "10.1143/JJAP.37.414",
2485 publisher = "The Japan Society of Applied Physics",
2486 notes = "tersoff stringent test",
2489 @Article{mazzarolo01,
2490 title = "Low-energy recoils in crystalline silicon: Quantum
2492 author = "Massimiliano Mazzarolo and Luciano Colombo and Giorgio
2493 Lulli and Eros Albertazzi",
2494 journal = "Phys. Rev. B",
2501 doi = "10.1103/PhysRevB.63.195207",
2502 publisher = "American Physical Society",
2505 @Article{holmstroem08,
2506 title = "Threshold defect production in silicon determined by
2507 density functional theory molecular dynamics
2509 author = "E. Holmstr{\"o}m and A. Kuronen and K. Nordlund",
2510 journal = "Phys. Rev. B",
2517 doi = "10.1103/PhysRevB.78.045202",
2518 publisher = "American Physical Society",
2519 notes = "threshold displacement comparison empirical and ab
2523 @Article{nordlund97,
2524 title = "Repulsive interatomic potentials calculated using
2525 Hartree-Fock and density-functional theory methods",
2526 journal = "Nuclear Instruments and Methods in Physics Research
2527 Section B: Beam Interactions with Materials and Atoms",
2534 doi = "DOI: 10.1016/S0168-583X(97)00447-3",
2535 URL = "http://www.sciencedirect.com/science/article/B6TJN-4CP0TGF-91/2/1a9100c0aae82d2d258fc83dfdba23c1",
2536 author = "K. Nordlund and N. Runeberg and D. Sundholm",
2537 notes = "repulsive ab initio potential",
2541 title = "Efficiency of ab-initio total energy calculations for
2542 metals and semiconductors using a plane-wave basis
2544 journal = "Computational Materials Science",
2551 doi = "DOI: 10.1016/0927-0256(96)00008-0",
2552 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74",
2553 author = "G. Kresse and J. Furthm{\"{u}}ller",
2558 title = "Projector augmented-wave method",
2559 author = "P. E. Bl{\"o}chl",
2560 journal = "Phys. Rev. B",
2563 pages = "17953--17979",
2567 doi = "10.1103/PhysRevB.50.17953",
2568 publisher = "American Physical Society",
2569 notes = "paw method",
2573 title = "Norm-Conserving Pseudopotentials",
2574 author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
2575 journal = "Phys. Rev. Lett.",
2578 pages = "1494--1497",
2582 doi = "10.1103/PhysRevLett.43.1494",
2583 publisher = "American Physical Society",
2584 notes = "norm-conserving pseudopotentials",
2587 @Article{vanderbilt90,
2588 title = "Soft self-consistent pseudopotentials in a generalized
2589 eigenvalue formalism",
2590 author = "David Vanderbilt",
2591 journal = "Phys. Rev. B",
2594 pages = "7892--7895",
2598 doi = "10.1103/PhysRevB.41.7892",
2599 publisher = "American Physical Society",
2600 notes = "vasp pseudopotentials",
2604 title = "Accurate and simple density functional for the
2605 electronic exchange energy: Generalized gradient
2607 author = "John P. Perdew and Wang Yue",
2608 journal = "Phys. Rev. B",
2611 pages = "8800--8802",
2615 doi = "10.1103/PhysRevB.33.8800",
2616 publisher = "American Physical Society",
2617 notes = "rapid communication gga",
2621 title = "Generalized gradient approximations for exchange and
2622 correlation: {A} look backward and forward",
2623 journal = "Physica B: Condensed Matter",
2630 doi = "DOI: 10.1016/0921-4526(91)90409-8",
2631 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8GR9-3D/2/18e610a616e4d80b934079c89063ece7",
2632 author = "John P. Perdew",
2633 notes = "gga overview",
2637 title = "Atoms, molecules, solids, and surfaces: Applications
2638 of the generalized gradient approximation for exchange
2640 author = "John P. Perdew and J. A. Chevary and S. H. Vosko and
2641 Koblar A. Jackson and Mark R. Pederson and D. J. Singh
2642 and Carlos Fiolhais",
2643 journal = "Phys. Rev. B",
2646 pages = "6671--6687",
2650 doi = "10.1103/PhysRevB.46.6671",
2651 publisher = "American Physical Society",
2652 notes = "gga pw91 (as in vasp)",
2655 @Article{baldereschi73,
2656 title = "Mean-Value Point in the Brillouin Zone",
2657 author = "A. Baldereschi",
2658 journal = "Phys. Rev. B",
2661 pages = "5212--5215",
2665 doi = "10.1103/PhysRevB.7.5212",
2666 publisher = "American Physical Society",
2667 notes = "mean value k point",
2671 title = "Ab initio pseudopotential calculations of dopant
2673 journal = "Computational Materials Science",
2680 doi = "DOI: 10.1016/S0927-0256(98)00023-8",
2681 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VB7F2K-7/2/aa864582273be8e054300efb7bd16a1b",
2682 author = "Jing Zhu",
2683 keywords = "TED (transient enhanced diffusion)",
2684 keywords = "Boron dopant",
2685 keywords = "Carbon dopant",
2686 keywords = "Defect",
2687 keywords = "ab initio pseudopotential method",
2688 keywords = "Impurity cluster",
2689 notes = "binding of c to si interstitial, c in si defects",
2693 author = "A. Nejim and P. L. F. Hemment and J. Stoemenos",
2695 title = "Si{C} buried layer formation by ion beam synthesis at
2699 journal = "Applied Physics Letters",
2702 pages = "2646--2648",
2703 keywords = "SILICON; ION IMPLANTATION; CARBON IONS; SILICON
2704 CARBIDES; BURIED LAYERS; SYNTHESIS; KEV RANGE 100 --
2705 1000; CRYSTAL DEFECTS; MORPHOLOGY; RBS; TRANSMISSION
2706 ELECTRON MICROSCOPY",
2707 URL = "http://link.aip.org/link/?APL/66/2646/1",
2708 doi = "10.1063/1.113112",
2709 notes = "precipitation mechanism by substitutional carbon, si
2710 self interstitials react with further implanted c",
2714 author = "C. Guedj and M. W. Dashiell and L. Kulik and J.
2715 Kolodzey and A. Hairie",
2717 title = "Precipitation of beta-Si{C} in Si[sub 1 - y]{C}[sub y]
2721 journal = "Journal of Applied Physics",
2724 pages = "4631--4633",
2725 keywords = "silicon compounds; precipitation; localised modes;
2726 semiconductor epitaxial layers; infrared spectra;
2727 Fourier transform spectra; thermal stability;
2729 URL = "http://link.aip.org/link/?JAP/84/4631/1",
2730 doi = "10.1063/1.368703",
2731 notes = "coherent 3C-SiC, topotactic, critical coherence size",
2735 author = "R Jones and B J Coomer and P R Briddon",
2736 title = "Quantum mechanical modelling of defects in
2738 journal = "Journal of Physics: Condensed Matter",
2742 URL = "http://stacks.iop.org/0953-8984/16/i=27/a=004",
2744 notes = "ab inito init, vibrational modes, c defect in si",
2748 author = "S. Y. Park and J. D'Arcy-Gall and D. Gall and J. A. N.
2749 T Soares and Y.-W. Kim and H. Kim and P. Desjardins and
2750 J. E. Greene and S. G. Bishop",
2752 title = "Carbon incorporation pathways and lattice sites in
2753 Si[sub 1 - y]{C}[sub y] alloys grown on Si(001) by
2754 molecular-beam epitaxy",
2757 journal = "Journal of Applied Physics",
2760 pages = "5716--5727",
2761 URL = "http://link.aip.org/link/?JAP/91/5716/1",
2762 doi = "10.1063/1.1465122",
2763 notes = "c substitutional incorporation pathway, dft and expt",
2767 title = "Dynamic properties of interstitial carbon and
2768 carbon-carbon pair defects in silicon",
2769 author = "P. Leary and R. Jones and S. {\"O}berg and V. J. B.
2771 journal = "Phys. Rev. B",
2774 pages = "2188--2194",
2778 doi = "10.1103/PhysRevB.55.2188",
2779 publisher = "American Physical Society",
2780 notes = "ab initio c in si and di-carbon defect, no formation
2781 energies, different migration barriers and paths",
2785 title = "Interstitial carbon and the carbon-carbon pair in
2786 silicon: Semiempirical electronic-structure
2788 author = "Matthew J. Burnard and Gary G. DeLeo",
2789 journal = "Phys. Rev. B",
2792 pages = "10217--10225",
2796 doi = "10.1103/PhysRevB.47.10217",
2797 publisher = "American Physical Society",
2798 notes = "semi empirical mndo, pm3 and mindo3 c in si and di
2799 carbon defect, formation energies",
2803 title = "Review of atomistic simulations of surface diffusion
2804 and growth on semiconductors",
2805 journal = "Computational Materials Science",
2810 note = "Proceedings of the Workshop on Virtual Molecular Beam
2813 doi = "DOI: 10.1016/0927-0256(96)00030-4",
2814 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VSFF1G-7/2/afc8408b00ded1ca2dc3ad1686c2dae6",
2815 author = "Efthimios Kaxiras",
2816 notes = "might contain c 100 db formation energy, overview md,
2817 tight binding, first principles",
2820 @Article{kaukonen98,
2821 title = "Effect of {N} and {B} doping on the growth of {CVD}
2823 $(100):{H}(2\ifmmode\times\else\texttimes\fi{}1)$
2825 author = "M. Kaukonen and P. K. Sitch and G. Jungnickel and R.
2826 M. Nieminen and Sami P{\"o}ykk{\"o} and D. Porezag and
2828 journal = "Phys. Rev. B",
2831 pages = "9965--9970",
2835 doi = "10.1103/PhysRevB.57.9965",
2836 publisher = "American Physical Society",
2837 notes = "constrained conjugate gradient relaxation technique
2842 title = "Correlation between the antisite pair and the ${DI}$
2844 author = "A. Gali and P. De\'ak and E. Rauls and N. T. Son and
2845 I. G. Ivanov and F. H. C. Carlsson and E. Janz\'en and
2847 journal = "Phys. Rev. B",
2854 doi = "10.1103/PhysRevB.67.155203",
2855 publisher = "American Physical Society",
2859 title = "Production and recovery of defects in Si{C} after
2860 irradiation and deformation",
2861 journal = "Journal of Nuclear Materials",
2864 pages = "1803--1808",
2868 doi = "DOI: 10.1016/S0022-3115(98)00139-1",
2869 URL = "http://www.sciencedirect.com/science/article/B6TXN-43G486N-47/2/56905f48f025ab98e5de4d6cde09c62b",
2870 author = "J. Chen and P. Jung and H. Klein",
2874 title = "Accumulation, dynamic annealing and thermal recovery
2875 of ion-beam-induced disorder in silicon carbide",
2876 journal = "Nuclear Instruments and Methods in Physics Research
2877 Section B: Beam Interactions with Materials and Atoms",
2884 doi = "DOI: 10.1016/S0168-583X(00)00542-5",
2885 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KH7Y-2R/2/8acc176700c95bb8614d96c40cfc5577",
2886 author = "W. J. Weber and W. Jiang and S. Thevuthasan",
2887 keywords = "Amorphization",
2888 keywords = "Irradiation effects",
2889 keywords = "Thermal recovery",
2890 keywords = "Silicon carbide",
2893 @Article{bockstedte03,
2894 title = "Ab initio study of the migration of intrinsic defects
2896 author = "Michel Bockstedte and Alexander Mattausch and Oleg
2898 journal = "Phys. Rev. B",
2905 doi = "10.1103/PhysRevB.68.205201",
2906 publisher = "American Physical Society",
2907 notes = "defect migration in sic",
2911 title = "Theoretical study of vacancy diffusion and
2912 vacancy-assisted clustering of antisites in Si{C}",
2913 author = "E. Rauls and Th. Frauenheim and A. Gali and P.
2915 journal = "Phys. Rev. B",
2922 doi = "10.1103/PhysRevB.68.155208",
2923 publisher = "American Physical Society",