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",
94 author = "P. S. de Laplace",
95 title = "Th\'eorie analytique des probabilit\'es",
96 series = "Oeuvres Compl\`etes de Laplace",
98 publisher = "Gauthier-Villars",
102 @Article{mattoni2007,
103 author = "A. {Mattoni} and M. {Ippolito} and L. {Colombo}",
104 title = "{Atomistic modeling of brittleness in covalent
106 journal = "Phys. Rev. B",
112 doi = "10.1103/PhysRevB.76.224103",
113 notes = "adopted tersoff potential for Si, C, Ge ad SiC;
114 longe(r)-range-interactions, brittle propagation of
115 fracture, more available potentials, universal energy
116 relation (uer), minimum range model (mrm)",
120 title = "Comparative study of silicon empirical interatomic
122 author = "H. Balamane and T. Halicioglu and W. A. Tiller",
123 journal = "Phys. Rev. B",
126 pages = "2250--2279",
130 doi = "10.1103/PhysRevB.46.2250",
131 publisher = "American Physical Society",
132 notes = "comparison of classical potentials for si",
136 title = "Stress relaxation in $a-Si$ induced by ion
138 author = "H. M. Urbassek M. Koster",
139 journal = "Phys. Rev. B",
142 pages = "11219--11224",
146 doi = "10.1103/PhysRevB.62.11219",
147 publisher = "American Physical Society",
148 notes = "virial derivation for 3-body tersoff potential",
151 @Article{breadmore99,
152 title = "Direct simulation of ion-beam-induced stressing and
153 amorphization of silicon",
154 author = "N. Gr\o{}nbech-Jensen K. M. Beardmore",
155 journal = "Phys. Rev. B",
158 pages = "12610--12616",
162 doi = "10.1103/PhysRevB.60.12610",
163 publisher = "American Physical Society",
164 notes = "virial derivation for 3-body tersoff potential",
168 author = "Henri Moissan",
169 title = "Nouvelles recherches sur la météorité de Cañon
171 journal = "Comptes rendus de l'Académie des Sciences",
178 author = "Y. S. Park",
179 title = "Si{C} Materials and Devices",
180 publisher = "Academic Press",
181 address = "San Diego",
186 author = "Valeri F. Tsvetkov and R. C. Glass and D. Henshall and
187 Calvin H. Carter Jr. and D. Asbury",
188 title = "Si{C} Seeded Boule Growth",
189 journal = "Materials Science Forum",
193 notes = "modified lely process, micropipes",
197 title = "Computer {"}Experiments{"} on Classical Fluids. {I}.
198 Thermodynamical Properties of Lennard-Jones Molecules",
199 author = "Loup Verlet",
200 journal = "Phys. Rev.",
206 doi = "10.1103/PhysRev.159.98",
207 publisher = "American Physical Society",
208 notes = "velocity verlet integration algorithm equation of
212 @Article{berendsen84,
213 author = "H. J. C. Berendsen and J. P. M. Postma and W. F. van
214 Gunsteren and A. DiNola and J. R. Haak",
216 title = "Molecular dynamics with coupling to an external bath",
219 journal = "The Journal of Chemical Physics",
222 pages = "3684--3690",
223 keywords = "MOLECULAR DYNAMICS CALCULATION; TRANSPORT THEORY;
224 COMPUTERIZED SIMULATION; LIQUIDS; STRUCTURE FACTORS",
225 URL = "http://link.aip.org/link/?JCP/81/3684/1",
226 doi = "10.1063/1.448118",
227 notes = "berendsen thermostat barostat",
231 author = "Hanchen Huang and N M Ghoniem and J K Wong and M
233 title = "Molecular dynamics determination of defect energetics
234 in beta -Si{C} using three representative empirical
236 journal = "Modelling and Simulation in Materials Science and
241 URL = "http://stacks.iop.org/0965-0393/3/615",
242 notes = "comparison of tersoff, pearson and eam for defect
243 energetics in sic; (m)eam parameters for sic",
248 title = "Relationship between the embedded-atom method and
250 author = "Donald W. Brenner",
251 journal = "Phys. Rev. Lett.",
258 doi = "10.1103/PhysRevLett.63.1022",
259 publisher = "American Physical Society",
260 notes = "relation of tersoff and eam potential",
264 title = "Molecular-dynamics study of self-interstitials in
266 author = "Inder P. Batra and Farid F. Abraham and S. Ciraci",
267 journal = "Phys. Rev. B",
270 pages = "9552--9558",
274 doi = "10.1103/PhysRevB.35.9552",
275 publisher = "American Physical Society",
276 notes = "selft-interstitials in silicon, stillinger-weber,
277 calculation of defect formation energy, defect
282 title = "Extended interstitials in silicon and germanium",
283 author = "H. R. Schober",
284 journal = "Phys. Rev. B",
287 pages = "13013--13015",
291 doi = "10.1103/PhysRevB.39.13013",
292 publisher = "American Physical Society",
293 notes = "stillinger-weber silicon 110 stable and metastable
294 dumbbell configuration",
298 title = "Cascade overlap and amorphization in $3{C}-Si{C}:$
299 Defect accumulation, topological features, and
301 author = "F. Gao and W. J. Weber",
302 journal = "Phys. Rev. B",
309 doi = "10.1103/PhysRevB.66.024106",
310 publisher = "American Physical Society",
311 notes = "sic intro, si cascade in 3c-sic, amorphization,
312 tersoff modified, pair correlation of amorphous sic, md
316 @Article{devanathan98,
317 title = "Computer simulation of a 10 ke{V} Si displacement
319 journal = "Nuclear Instruments and Methods in Physics Research
320 Section B: Beam Interactions with Materials and Atoms",
326 doi = "DOI: 10.1016/S0168-583X(98)00084-6",
327 author = "R. Devanathan and W. J. Weber and T. Diaz de la
329 notes = "modified tersoff short range potential, ab initio
333 @Article{devanathan98_2,
334 title = "Displacement threshold energies in [beta]-Si{C}",
335 journal = "Journal of Nuclear Materials",
341 doi = "DOI: 10.1016/S0022-3115(97)00304-8",
342 author = "R. Devanathan and T. Diaz de la Rubia and W. J.
344 notes = "modified tersoff, ab initio, combined ab initio
348 @Article{kitabatake00,
349 title = "Si{C}/Si heteroepitaxial growth",
350 author = "M. Kitabatake",
351 journal = "Thin Solid Films",
356 notes = "md simulation, sic si heteroepitaxy, mbe",
360 title = "Intrinsic point defects in crystalline silicon:
361 Tight-binding molecular dynamics studies of
362 self-diffusion, interstitial-vacancy recombination, and
364 author = "M. Tang and L. Colombo and J. Zhu and T. Diaz de la
366 journal = "Phys. Rev. B",
369 pages = "14279--14289",
373 doi = "10.1103/PhysRevB.55.14279",
374 publisher = "American Physical Society",
375 notes = "si self interstitial, diffusion, tbmd",
379 title = "Barrier to Migration of the Silicon
381 author = "Y. Bar-Yam and J. D. Joannopoulos",
382 journal = "Phys. Rev. Lett.",
385 pages = "1129--1132",
389 doi = "10.1103/PhysRevLett.52.1129",
390 publisher = "American Physical Society",
391 notes = "si self-interstitial migration barrier",
395 title = "Tight-binding theory of native point defects in
397 author = "L. Colombo",
398 journal = "Annu. Rev. Mater. Res.",
403 doi = "10.1146/annurev.matsci.32.111601.103036",
404 publisher = "Annual Reviews",
405 notes = "si self interstitial, tbmd, virial stress",
408 @Article{al-mushadani03,
409 title = "Free-energy calculations of intrinsic point defects in
411 author = "O. K. Al-Mushadani and R. J. Needs",
412 journal = "Phys. Rev. B",
419 doi = "10.1103/PhysRevB.68.235205",
420 publisher = "American Physical Society",
421 notes = "formation energies of intrinisc point defects in
422 silicon, si self interstitials, free energy",
426 title = "Ab initio study of self-diffusion in silicon over a
427 wide temperature range: Point defect states and
428 migration mechanisms",
429 author = "Shangyi Ma and Shaoqing Wang",
430 journal = "Phys. Rev. B",
437 doi = "10.1103/PhysRevB.81.193203",
438 publisher = "American Physical Society",
439 notes = "si self interstitial diffusion + refs",
443 title = "Correlation between self-diffusion in Si and the
444 migration mechanisms of vacancies and
445 self-interstitials: An atomistic study",
446 author = "M. Posselt and F. Gao and H. Bracht",
447 journal = "Phys. Rev. B",
454 doi = "10.1103/PhysRevB.78.035208",
455 publisher = "American Physical Society",
456 notes = "si self-interstitial and vacancy diffusion, stillinger
461 title = "Ab initio and empirical-potential studies of defect
462 properties in $3{C}-Si{C}$",
463 author = "F. Gao and E. J. Bylaska and W. J. Weber and L. R.
465 journal = "Phys. Rev. B",
472 doi = "10.1103/PhysRevB.64.245208",
473 publisher = "American Physical Society",
474 notes = "defects in 3c-sic",
477 @Article{mattoni2002,
478 title = "Self-interstitial trapping by carbon complexes in
479 crystalline silicon",
480 author = "A. Mattoni and F. Bernardini and L. Colombo",
481 journal = "Phys. Rev. B",
488 doi = "10.1103/PhysRevB.66.195214",
489 publisher = "American Physical Society",
490 notes = "c in c-si, diffusion, interstitial configuration +
491 links, interaction of carbon and silicon interstitials,
492 tersoff suitability",
496 title = "Calculations of Silicon Self-Interstitial Defects",
497 author = "W.-K. Leung and R. J. Needs and G. Rajagopal and S.
499 journal = "Phys. Rev. Lett.",
502 pages = "2351--2354",
506 doi = "10.1103/PhysRevLett.83.2351",
507 publisher = "American Physical Society",
508 notes = "nice images of the defects, si defect overview +
513 title = "Identification of the migration path of interstitial
515 author = "R. B. Capaz and A. {Dal Pino} and J. D. Joannopoulos",
516 journal = "Phys. Rev. B",
519 pages = "7439--7442",
523 doi = "10.1103/PhysRevB.50.7439",
524 publisher = "American Physical Society",
525 notes = "carbon interstitial migration path shown, 001 c-si
530 title = "Ab initio investigation of carbon-related defects in
532 author = "A. {Dal Pino} and Andrew M. Rappe and J. D.
534 journal = "Phys. Rev. B",
537 pages = "12554--12557",
541 doi = "10.1103/PhysRevB.47.12554",
542 publisher = "American Physical Society",
543 notes = "c interstitials in crystalline silicon",
547 title = "Microscopic Theory of Atomic Diffusion Mechanisms in
549 author = "Roberto Car and Paul J. Kelly and Atsushi Oshiyama and
550 Sokrates T. Pantelides",
551 journal = "Phys. Rev. Lett.",
554 pages = "1814--1817",
558 doi = "10.1103/PhysRevLett.52.1814",
559 publisher = "American Physical Society",
560 notes = "microscopic theory diffusion silicon dft migration
565 title = "Unified Approach for Molecular Dynamics and
566 Density-Functional Theory",
567 author = "R. Car and M. Parrinello",
568 journal = "Phys. Rev. Lett.",
571 pages = "2471--2474",
575 doi = "10.1103/PhysRevLett.55.2471",
576 publisher = "American Physical Society",
577 notes = "car parrinello method, dft and md",
581 title = "Short-range order, bulk moduli, and physical trends in
582 c-$Si1-x$$Cx$ alloys",
583 author = "P. C. Kelires",
584 journal = "Phys. Rev. B",
587 pages = "8784--8787",
591 doi = "10.1103/PhysRevB.55.8784",
592 publisher = "American Physical Society",
593 notes = "c strained si, montecarlo md, bulk moduli, next
598 title = "Monte Carlo Studies of Ternary Semiconductor Alloys:
599 Application to the $Si1-x-yGexCy$ System",
600 author = "P. C. Kelires",
601 journal = "Phys. Rev. Lett.",
604 pages = "1114--1117",
608 doi = "10.1103/PhysRevLett.75.1114",
609 publisher = "American Physical Society",
610 notes = "mc md, strain compensation in si ge by c insertion",
614 title = "Low temperature electron irradiation of silicon
616 journal = "Solid State Communications",
623 doi = "DOI: 10.1016/0038-1098(70)90074-8",
624 URL = "http://www.sciencedirect.com/science/article/B6TVW-46MF8S4-156/2/5f4d9c189a3d97227fde9214195aa081",
625 author = "A. R. Bean and R. C. Newman",
629 title = "{EPR} Observation of the Isolated Interstitial Carbon
631 author = "G. D. Watkins and K. L. Brower",
632 journal = "Phys. Rev. Lett.",
635 pages = "1329--1332",
639 doi = "10.1103/PhysRevLett.36.1329",
640 publisher = "American Physical Society",
641 notes = "epr observations of 100 interstitial carbon atom in
646 title = "{EPR} identification of the single-acceptor state of
647 interstitial carbon in silicon",
648 author = "G. D. Watkins L. W. Song",
649 journal = "Phys. Rev. B",
652 pages = "5759--5764",
656 doi = "10.1103/PhysRevB.42.5759",
657 publisher = "American Physical Society",
658 notes = "carbon diffusion in silicon",
662 author = "A K Tipping and R C Newman",
663 title = "The diffusion coefficient of interstitial carbon in
665 journal = "Semiconductor Science and Technology",
669 URL = "http://stacks.iop.org/0268-1242/2/315",
671 notes = "diffusion coefficient of carbon interstitials in
676 title = "Carbon incorporation into Si at high concentrations by
677 ion implantation and solid phase epitaxy",
678 author = "J. W. Strane and S. R. Lee and H. J. Stein and S. T.
679 Picraux and J. K. Watanabe and J. W. Mayer",
680 journal = "J. Appl. Phys.",
685 doi = "10.1063/1.360806",
686 notes = "strained silicon, carbon supersaturation",
689 @Article{laveant2002,
690 title = "Epitaxy of carbon-rich silicon with {MBE}",
691 journal = "Materials Science and Engineering B",
697 doi = "DOI: 10.1016/S0921-5107(01)00794-2",
698 URL = "http://www.sciencedirect.com/science/article/B6TXF-44YVPGS-1V/2/024ece074ad18ebbec62a39a2510a268",
699 author = "P. Lav\'eant and G. Gerth and P. Werner and U.
701 notes = "low c in si, tensile stress to compensate compressive
702 stress, avoid sic precipitation",
706 author = "P. Werner and S. Eichler and G. Mariani and R.
707 K{\"{o}}gler and W. Skorupa",
708 title = "Investigation of {C}[sub x]Si defects in {C} implanted
709 silicon by transmission electron microscopy",
712 journal = "Applied Physics Letters",
716 keywords = "silicon; ion implantation; carbon; crystal defects;
717 transmission electron microscopy; annealing; positron
718 annihilation; secondary ion mass spectroscopy; buried
719 layers; precipitation",
720 URL = "http://link.aip.org/link/?APL/70/252/1",
721 doi = "10.1063/1.118381",
722 notes = "si-c complexes, agglomerate, sic in si matrix, sic
726 @InProceedings{werner96,
727 author = "P. Werner and R. K{\"{o}}gler and W. Skorupa and D.
729 booktitle = "Ion Implantation Technology. Proceedings of the 11th
730 International Conference on",
731 title = "{TEM} investigation of {C}-Si defects in carbon
738 keywords = "beta;-SiC precipitates;30 s;700 to 1300 C;C
739 atom/radiation induced defect interaction;C depth
740 distribution;C precipitation;C-Si defects;C-Si
741 dimers;CZ Si;HREM;Si:C;TEM;buried layer morphology;high
742 energy ion implantation;ion implantation;metastable
743 agglomerates;microdefects;positron annihilation
744 spectroscopy;rapid thermal annealing;secondary ion mass
745 spectrometry;vacancy clusters;buried
746 layers;carbon;elemental semiconductors;impurity-defect
747 interactions;ion implantation;positron
748 annihilation;precipitation;rapid thermal
749 annealing;secondary ion mass
750 spectra;silicon;transmission electron
751 microscopy;vacancies (crystal);",
752 doi = "10.1109/IIT.1996.586497",
754 notes = "c-si agglomerates dumbbells",
758 author = "J. W. Strane and H. J. Stein and S. R. Lee and S. T.
759 Picraux and J. K. Watanabe and J. W. Mayer",
761 title = "Precipitation and relaxation in strained Si[sub 1 -
762 y]{C}[sub y]/Si heterostructures",
765 journal = "Journal of Applied Physics",
768 pages = "3656--3668",
769 keywords = "SILICON CARBIDES; SILICON; PRECIPITATION; STRAINS",
770 URL = "http://link.aip.org/link/?JAP/76/3656/1",
771 doi = "10.1063/1.357429",
772 notes = "strained si-c to 3c-sic, carbon nucleation + refs",
776 title = "Prospects for device implementation of wide band gap
778 author = "J. H. Edgar",
779 journal = "J. Mater. Res.",
784 doi = "10.1557/JMR.1992.0235",
785 notes = "properties wide band gap semiconductor, sic
789 @Article{zirkelbach2007,
790 title = "Monte Carlo simulation study of a selforganisation
791 process leading to ordered precipitate structures",
792 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
794 journal = "Nucl. Instr. and Meth. B",
801 doi = "doi:10.1016/j.nimb.2006.12.118",
802 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
806 @Article{zirkelbach2006,
807 title = "Monte-Carlo simulation study of the self-organization
808 of nanometric amorphous precipitates in regular arrays
809 during ion irradiation",
810 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
812 journal = "Nucl. Instr. and Meth. B",
819 doi = "doi:10.1016/j.nimb.2005.08.162",
820 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
824 @Article{zirkelbach2005,
825 title = "Modelling of a selforganization process leading to
826 periodic arrays of nanometric amorphous precipitates by
828 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
830 journal = "Comp. Mater. Sci.",
837 doi = "doi:10.1016/j.commatsci.2004.12.016",
838 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
843 title = "Controlling the density distribution of Si{C}
844 nanocrystals for the ion beam synthesis of buried Si{C}
846 journal = "Nuclear Instruments and Methods in Physics Research
847 Section B: Beam Interactions with Materials and Atoms",
854 doi = "DOI: 10.1016/S0168-583X(98)00598-9",
855 URL = "http://www.sciencedirect.com/science/article/B6TJN-3YMWWDY-1H/2/ad53e614f783b2a7474aecb936dd0169",
856 author = "J. K. N. Lindner and B. Stritzker",
857 notes = "two-step implantation process",
860 @Article{lindner99_2,
861 title = "Mechanisms in the ion beam synthesis of Si{C} layers
863 journal = "Nuclear Instruments and Methods in Physics Research
864 Section B: Beam Interactions with Materials and Atoms",
870 doi = "DOI: 10.1016/S0168-583X(98)00787-3",
871 URL = "http://www.sciencedirect.com/science/article/B6TJN-3XGFSSH-3H/2/17d138baa6db68cb279e6de9161e5f85",
872 author = "J. K. N. Lindner and B. Stritzker",
873 notes = "3c-sic precipitation model, c-si dimers (dumbbells)",
877 title = "Ion beam synthesis of buried Si{C} layers in silicon:
878 Basic physical processes",
879 journal = "Nuclear Instruments and Methods in Physics Research
880 Section B: Beam Interactions with Materials and Atoms",
887 doi = "DOI: 10.1016/S0168-583X(01)00504-3",
888 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KG96-8/2/f222574d8945c3fd7aaf9ae1efdd37b3",
889 author = "J{\"{o}}rg K. N. Lindner",
893 title = "High-dose carbon implantations into silicon:
894 fundamental studies for new technological tricks",
895 author = "J. K. N. Lindner",
896 journal = "Appl. Phys. A",
900 doi = "10.1007/s00339-002-2062-8",
901 notes = "ibs, burried sic layers",
905 title = "Ion beam synthesis of 3{C}-Si{C} layers in Si and its
906 application in buffer layer for Ga{N} epitaxial
908 journal = "Applied Surface Science",
913 note = "APHYS'03 Special Issue",
915 doi = "DOI: 10.1016/j.apsusc.2004.05.199",
916 URL = "http://www.sciencedirect.com/science/article/B6THY-4CTTNGX-B/2/d24ee637db87f3f1a6ef7fe6820f267c",
917 author = "Y. Ito and T. Yamauchi and A. Yamamoto and M. Sasase
918 and S. Nishio and K. Yasuda and Y. Ishigami",
919 notes = "gan on 3c-sic",
923 author = "B. J. Alder and T. E. Wainwright",
924 title = "Phase Transition for a Hard Sphere System",
927 journal = "The Journal of Chemical Physics",
930 pages = "1208--1209",
931 URL = "http://link.aip.org/link/?JCP/27/1208/1",
932 doi = "10.1063/1.1743957",
936 author = "B. J. Alder and T. E. Wainwright",
937 title = "Studies in Molecular Dynamics. {I}. General Method",
940 journal = "The Journal of Chemical Physics",
944 URL = "http://link.aip.org/link/?JCP/31/459/1",
945 doi = "10.1063/1.1730376",
948 @Article{tersoff_si1,
949 title = "New empirical model for the structural properties of
951 author = "J. Tersoff",
952 journal = "Phys. Rev. Lett.",
959 doi = "10.1103/PhysRevLett.56.632",
960 publisher = "American Physical Society",
963 @Article{tersoff_si2,
964 title = "New empirical approach for the structure and energy of
966 author = "J. Tersoff",
967 journal = "Phys. Rev. B",
970 pages = "6991--7000",
974 doi = "10.1103/PhysRevB.37.6991",
975 publisher = "American Physical Society",
978 @Article{tersoff_si3,
979 title = "Empirical interatomic potential for silicon with
980 improved elastic properties",
981 author = "J. Tersoff",
982 journal = "Phys. Rev. B",
985 pages = "9902--9905",
989 doi = "10.1103/PhysRevB.38.9902",
990 publisher = "American Physical Society",
994 title = "Empirical Interatomic Potential for Carbon, with
995 Applications to Amorphous Carbon",
996 author = "J. Tersoff",
997 journal = "Phys. Rev. Lett.",
1000 pages = "2879--2882",
1004 doi = "10.1103/PhysRevLett.61.2879",
1005 publisher = "American Physical Society",
1009 title = "Modeling solid-state chemistry: Interatomic potentials
1010 for multicomponent systems",
1011 author = "J. Tersoff",
1012 journal = "Phys. Rev. B",
1015 pages = "5566--5568",
1019 doi = "10.1103/PhysRevB.39.5566",
1020 publisher = "American Physical Society",
1024 title = "Carbon defects and defect reactions in silicon",
1025 author = "J. Tersoff",
1026 journal = "Phys. Rev. Lett.",
1029 pages = "1757--1760",
1033 doi = "10.1103/PhysRevLett.64.1757",
1034 publisher = "American Physical Society",
1038 title = "Point defects and dopant diffusion in silicon",
1039 author = "P. M. Fahey and P. B. Griffin and J. D. Plummer",
1040 journal = "Rev. Mod. Phys.",
1047 doi = "10.1103/RevModPhys.61.289",
1048 publisher = "American Physical Society",
1052 title = "Silicon carbide: synthesis and processing",
1053 journal = "Nuclear Instruments and Methods in Physics Research
1054 Section B: Beam Interactions with Materials and Atoms",
1059 note = "Radiation Effects in Insulators",
1061 doi = "DOI: 10.1016/0168-583X(96)00065-1",
1062 URL = "http://www.sciencedirect.com/science/article/B6TJN-3VXHNFT-C7/2/4216cb1ec9e422c22de5fed7360fb06e",
1063 author = "W. Wesch",
1067 author = "H. Morko\c{c} and S. Strite and G. B. Gao and M. E.
1068 Lin and B. Sverdlov and M. Burns",
1070 title = "Large-band-gap Si{C}, {III}-{V} nitride, and {II}-{VI}
1071 ZnSe-based semiconductor device technologies",
1074 journal = "Journal of Applied Physics",
1077 pages = "1363--1398",
1078 keywords = "SEMICONDUCTOR DEVICES; SILICON CARBIDES; GALLIUM
1079 NITRIDES; ZINC SELENIDES; SUBSTRATES; MOS JUNCTIONS;
1080 LASER MATERIALS; MATERIALS; REVIEWS; ENERGY GAP; THIN
1082 URL = "http://link.aip.org/link/?JAP/76/1363/1",
1083 doi = "10.1063/1.358463",
1087 author = "Noch Unbekannt",
1088 title = "How to find references",
1089 journal = "Journal of Applied References",
1096 title = "Atomistic simulation of thermomechanical properties of
1098 author = "Meijie Tang and Sidney Yip",
1099 journal = "Phys. Rev. B",
1102 pages = "15150--15159",
1105 doi = "10.1103/PhysRevB.52.15150",
1106 notes = "modified tersoff, scale cutoff with volume, promising
1107 tersoff reparametrization",
1108 publisher = "American Physical Society",
1112 title = "Silicon carbide as a new {MEMS} technology",
1113 journal = "Sensors and Actuators A: Physical",
1119 doi = "DOI: 10.1016/S0924-4247(99)00335-0",
1120 URL = "http://www.sciencedirect.com/science/article/B6THG-406VM55-13/2/75385a587669b215d9ef88029a93fd59",
1121 author = "Pasqualina M. Sarro",
1123 keywords = "Silicon carbide",
1124 keywords = "Micromachining",
1125 keywords = "Mechanical stress",
1129 title = "Status of silicon carbide (Si{C}) as a wide-bandgap
1130 semiconductor for high-temperature applications: {A}
1132 journal = "Solid-State Electronics",
1135 pages = "1409--1422",
1138 doi = "DOI: 10.1016/0038-1101(96)00045-7",
1139 URL = "http://www.sciencedirect.com/science/article/B6TY5-3VSR9J0-1/2/a871c11636e937dc45bfdf48e29f725b",
1140 author = "J. B. Casady and R. W. Johnson",
1143 @Article{giancarli98,
1144 title = "Design requirements for Si{C}/Si{C} composites
1145 structural material in fusion power reactor blankets",
1146 journal = "Fusion Engineering and Design",
1152 doi = "DOI: 10.1016/S0920-3796(97)00200-7",
1153 URL = "http://www.sciencedirect.com/science/article/B6V3C-3V8RYK8-T/2/16949194114900fd1330f79892d7a7be",
1154 author = "L. Giancarli and J. P. Bonal and A. Caso and G. Le
1155 Marois and N. B. Morley and J. F. Salavy",
1159 title = "Electrical and optical characterization of Si{C}",
1160 journal = "Physica B: Condensed Matter",
1166 doi = "DOI: 10.1016/0921-4526(93)90249-6",
1167 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8HRX-99/2/eab9398bf2bbf10df3ae42c2ab28a776",
1168 author = "G. Pensl and W. J. Choyke",
1172 title = "Investigation of growth processes of ingots of silicon
1173 carbide single crystals",
1174 journal = "Journal of Crystal Growth",
1179 notes = "modifief lely process",
1181 doi = "DOI: 10.1016/0022-0248(78)90169-0",
1182 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BY2NR-7S/2/fa6fee78ebd8322491f6366e72d5b6dc",
1183 author = "Yu. M. Tairov and V. F. Tsvetkov",
1187 author = "Shigehiro Nishino and J. Anthony Powell and Herbert A.
1190 title = "Production of large-area single-crystal wafers of
1191 cubic Si{C} for semiconductor devices",
1194 journal = "Applied Physics Letters",
1198 keywords = "silicon carbides; layers; chemical vapor deposition;
1200 URL = "http://link.aip.org/link/?APL/42/460/1",
1201 doi = "10.1063/1.93970",
1202 notes = "cvd of 3c-sic on si, sic buffer layer",
1206 author = "Shigehiro Nishino and Hajime Suhara and Hideyuki Ono
1207 and Hiroyuki Matsunami",
1209 title = "Epitaxial growth and electric characteristics of cubic
1213 journal = "Journal of Applied Physics",
1216 pages = "4889--4893",
1217 URL = "http://link.aip.org/link/?JAP/61/4889/1",
1218 doi = "10.1063/1.338355",
1219 notes = "cvd of 3c-sic on si, sic buffer layer, first time
1224 author = "J. Anthony Powell and Lawrence G. Matus and Maria A.
1226 title = "Growth and Characterization of Cubic Si{C}
1227 Single-Crystal Films on Si",
1230 journal = "Journal of The Electrochemical Society",
1233 pages = "1558--1565",
1234 keywords = "semiconductor materials; silicon compounds; carbon
1235 compounds; crystal morphology; electron mobility",
1236 URL = "http://link.aip.org/link/?JES/134/1558/1",
1237 doi = "10.1149/1.2100708",
1238 notes = "blue light emitting diodes (led)",
1242 author = "Tsunenobu Kimoto and Hironori Nishino and Woo Sik Yoo
1243 and Hiroyuki Matsunami",
1244 title = "Growth mechanism of 6{H}-Si{C} in step-controlled
1248 journal = "Journal of Applied Physics",
1252 keywords = "SILICON CARBIDES; EPITAXY; GROWTH RATE; TEMPERATURE
1253 RANGE 10004000 K; TWINNING; ACTIVATION ENERGY; CHEMICAL
1255 URL = "http://link.aip.org/link/?JAP/73/726/1",
1256 doi = "10.1063/1.353329",
1257 notes = "cvd of 6h-sic on 6h-sic, twinned 3c-sic",
1261 author = "J. A. Powell and D. J. Larkin and L. G. Matus and W.
1262 J. Choyke and J. L. Bradshaw and L. Henderson and M.
1263 Yoganathan and J. Yang and P. Pirouz",
1265 title = "Growth of improved quality 3{C}-Si{C} films on
1266 6{H}-Si{C} substrates",
1269 journal = "Applied Physics Letters",
1272 pages = "1353--1355",
1273 keywords = "SILICON CARBIDES; CHEMICAL VAPOR DEPOSITION; SORPTIVE
1274 PROPERTIES; PHOTOLUMINESCENCE; TRANSMISSION ELECTRON
1275 MICROSCOPY; DEFECT STRUCTURE; STACKING FAULTS; VAPOR
1277 URL = "http://link.aip.org/link/?APL/56/1353/1",
1278 doi = "10.1063/1.102512",
1279 notes = "cvd of 3c-sic on 6h-sic",
1283 author = "C. Yuan and A. J. Steckl and J. Chaudhuri and R.
1284 Thokala and M. J. Loboda",
1286 title = "Reduced temperature growth of crystalline 3{C}-Si{C}
1287 films on 6{H}-Si{C} by chemical vapor deposition from
1291 journal = "Journal of Applied Physics",
1294 pages = "1271--1273",
1295 keywords = "SILICON CARBIDES; THIN FILMS; CVD; EPITAXY; ABSORPTION
1296 EDGE; CRYSTAL STRUCTURE; STRAINS; DISLOCATIONS; XRD;
1298 URL = "http://link.aip.org/link/?JAP/78/1271/1",
1299 doi = "10.1063/1.360368",
1300 notes = "3c-sic on 6h-sic, cvd, reduced temperature",
1304 title = "Epitaxial growth of Si{C} thin films on Si-stabilized
1305 [alpha]-Si{C}(0001) at low temperatures by solid-source
1306 molecular beam epitaxy",
1307 journal = "Journal of Crystal Growth",
1313 doi = "DOI: 10.1016/0022-0248(95)00170-0",
1314 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3Y5MMXM-1N/2/65549019b878bf02d5ec645b7eea9e98",
1315 author = "A. Fissel and U. Kaiser and E. Ducke and B.
1316 Schr{\"{o}}ter and W. Richter",
1317 notes = "solid source mbe of 3c-sic on si and 6h-sic",
1320 @Article{fissel95_apl,
1321 author = "A. Fissel and B. Schr{\"{o}}ter and W. Richter",
1323 title = "Low-temperature growth of Si{C} thin films on Si and
1324 6{H}--Si{C} by solid-source molecular beam epitaxy",
1327 journal = "Applied Physics Letters",
1330 pages = "3182--3184",
1331 keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
1333 URL = "http://link.aip.org/link/?APL/66/3182/1",
1334 doi = "10.1063/1.113716",
1335 notes = "mbe 3c-sic on si and 6h-sic",
1339 author = "J. A. Borders and S. T. Picraux and W. Beezhold",
1341 title = "{FORMATION} {OF} Si{C} {IN} {SILICON} {BY} {ION}
1345 journal = "Applied Physics Letters",
1349 URL = "http://link.aip.org/link/?APL/18/509/1",
1350 doi = "10.1063/1.1653516",
1351 notes = "first time sic by ibs, follow cites for precipitation
1356 author = "K. J. Reeson and P. L. F. Hemment and J. Stoemenos and
1357 J. Davis and G. E. Celler",
1359 title = "Formation of buried layers of beta-Si{C} using ion
1360 beam synthesis and incoherent lamp annealing",
1363 journal = "Applied Physics Letters",
1366 pages = "2242--2244",
1367 keywords = "SILICON CARBIDES; FILM GROWTH; SOLIDPHASE EPITAXY; ION
1368 IMPLANTATION; CARBON IONS; DOPING PROFILES; SYNTHESIS",
1369 URL = "http://link.aip.org/link/?APL/51/2242/1",
1370 doi = "10.1063/1.98953",
1371 notes = "nice tem images, sic by ibs",
1375 author = "R. I. Scace and G. A. Slack",
1377 title = "Solubility of Carbon in Silicon and Germanium",
1380 journal = "The Journal of Chemical Physics",
1383 pages = "1551--1555",
1384 URL = "http://link.aip.org/link/?JCP/30/1551/1",
1385 doi = "10.1063/1.1730236",
1386 notes = "solubility of c in c-si",
1390 author = "N. E. B. Cowern and A. Cacciato and J. S. Custer and
1391 F. W. Saris and W. Vandervorst",
1393 title = "Role of {C} and {B} clusters in transient diffusion of
1397 journal = "Applied Physics Letters",
1400 pages = "1150--1152",
1401 keywords = "ATOMIC CLUSTERS; BORON ADDITIONS; CRYSTAL DOPING;
1402 DIFFUSION; DOPED MATERIALS; IMPURITIES; INTERSTITIALS;
1404 URL = "http://link.aip.org/link/?APL/68/1150/1",
1405 doi = "10.1063/1.115706",
1406 notes = "suppression of transient enhanced diffusion (ted)",
1410 title = "Implantation and transient boron diffusion: the role
1411 of the silicon self-interstitial",
1412 journal = "Nuclear Instruments and Methods in Physics Research
1413 Section B: Beam Interactions with Materials and Atoms",
1418 note = "Selected Papers of the Tenth International Conference
1419 on Ion Implantation Technology (IIT '94)",
1421 doi = "DOI: 10.1016/0168-583X(94)00481-1",
1422 URL = "http://www.sciencedirect.com/science/article/B6TJN-40WKY1P-29/2/602c6e5b809221323d2d2968edd0a71c",
1423 author = "P. A. Stolk and H. -J. Gossmann and D. J. Eaglesham
1428 author = "P. A. Stolk and H.-J. Gossmann and D. J. Eaglesham and
1429 D. C. Jacobson and C. S. Rafferty and G. H. Gilmer and
1430 M. Jara\'{\i}z and J. M. Poate and H. S. Luftman and T.
1433 title = "Physical mechanisms of transient enhanced dopant
1434 diffusion in ion-implanted silicon",
1437 journal = "Journal of Applied Physics",
1440 pages = "6031--6050",
1441 URL = "http://link.aip.org/link/?JAP/81/6031/1",
1442 doi = "10.1063/1.364452",
1443 notes = "ted, transient enhanced diffusion, c silicon trap",
1447 author = "A. R. Powell and F. K. LeGoues and S. S. Iyer",
1449 title = "Formation of beta-Si{C} nanocrystals by the relaxation
1450 of Si[sub 1 - y]{C}[sub y] random alloy layers",
1453 journal = "Applied Physics Letters",
1457 keywords = "SILICON CARBIDES; NANOSTRUCTURES; DISPERSIONS;
1458 EPITAXIAL LAYERS; STRESS RELAXATION; ANNEALING;
1459 TEMPERATURE EFFECTS; PRECIPITATION; DISLOCATIONS;
1461 URL = "http://link.aip.org/link/?APL/64/324/1",
1462 doi = "10.1063/1.111195",
1463 notes = "beta sic nano crystals in si, mbe, annealing",
1467 author = "Richard A. Soref",
1469 title = "Optical band gap of the ternary semiconductor Si[sub 1
1470 - x - y]Ge[sub x]{C}[sub y]",
1473 journal = "Journal of Applied Physics",
1476 pages = "2470--2472",
1477 keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; ENERGY GAP;
1478 OPTICAL PROPERTIES; DIAMONDS; SEMICONDUCTOR ALLOYS;
1480 URL = "http://link.aip.org/link/?JAP/70/2470/1",
1481 doi = "10.1063/1.349403",
1482 notes = "band gap of strained si by c",
1486 author = "E Kasper",
1487 title = "Superlattices of group {IV} elements, a new
1488 possibility to produce direct band gap material",
1489 journal = "Physica Scripta",
1492 URL = "http://stacks.iop.org/1402-4896/T35/232",
1494 notes = "superlattices, convert indirect band gap into a
1499 author = "H. J. Osten and J. Griesche and S. Scalese",
1501 title = "Substitutional carbon incorporation in epitaxial
1502 Si[sub 1 - y]{C}[sub y] alloys on Si(001) grown by
1503 molecular beam epitaxy",
1506 journal = "Applied Physics Letters",
1510 keywords = "molecular beam epitaxial growth; semiconductor growth;
1511 wide band gap semiconductors; interstitials; silicon
1513 URL = "http://link.aip.org/link/?APL/74/836/1",
1514 doi = "10.1063/1.123384",
1515 notes = "substitutional c in si",
1518 @Article{hohenberg64,
1519 title = "Inhomogeneous Electron Gas",
1520 author = "P. Hohenberg and W. Kohn",
1521 journal = "Phys. Rev.",
1524 pages = "B864--B871",
1528 doi = "10.1103/PhysRev.136.B864",
1529 publisher = "American Physical Society",
1530 notes = "density functional theory, dft",
1534 title = "Self-Consistent Equations Including Exchange and
1535 Correlation Effects",
1536 author = "W. Kohn and L. J. Sham",
1537 journal = "Phys. Rev.",
1540 pages = "A1133--A1138",
1544 doi = "10.1103/PhysRev.140.A1133",
1545 publisher = "American Physical Society",
1546 notes = "dft, exchange and correlation",
1550 title = "Strain-stabilized highly concentrated pseudomorphic
1551 $Si1-x$$Cx$ layers in Si",
1552 author = "H. R{\"u}cker and M. Methfessel and E. Bugiel and H.
1554 journal = "Phys. Rev. Lett.",
1557 pages = "3578--3581",
1561 doi = "10.1103/PhysRevLett.72.3578",
1562 publisher = "American Physical Society",
1563 notes = "high c concentration in si, heterostructure, starined
1568 title = "Electron Transport Model for Strained Silicon-Carbon
1570 author = "Shu-Tong Chang and Chung-Yi Lin",
1571 journal = "Japanese Journal of Applied Physics",
1574 pages = "2257--2262",
1577 URL = "http://jjap.ipap.jp/link?JJAP/44/2257/",
1578 doi = "10.1143/JJAP.44.2257",
1579 publisher = "The Japan Society of Applied Physics",
1580 notes = "enhance of electron mobility in starined si",
1584 author = "H. J. Osten and P. Gaworzewski",
1586 title = "Charge transport in strained Si[sub 1 - y]{C}[sub y]
1587 and Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloys on
1591 journal = "Journal of Applied Physics",
1594 pages = "4977--4981",
1595 keywords = "silicon compounds; Ge-Si alloys; wide band gap
1596 semiconductors; semiconductor epitaxial layers; carrier
1597 density; Hall mobility; interstitials; defect states",
1598 URL = "http://link.aip.org/link/?JAP/82/4977/1",
1599 doi = "10.1063/1.366364",
1600 notes = "charge transport in strained si",
1604 title = "Carbon-mediated aggregation of self-interstitials in
1605 silicon: {A} large-scale molecular dynamics study",
1606 author = "Sumeet S. Kapur and Manish Prasad and Talid Sinno",
1607 journal = "Phys. Rev. B",
1614 doi = "10.1103/PhysRevB.69.155214",
1615 publisher = "American Physical Society",
1616 notes = "simulation using promising tersoff reparametrization",
1620 title = "Event-Based Relaxation of Continuous Disordered
1622 author = "G. T. Barkema and Normand Mousseau",
1623 journal = "Phys. Rev. Lett.",
1626 pages = "4358--4361",
1630 doi = "10.1103/PhysRevLett.77.4358",
1631 publisher = "American Physical Society",
1632 notes = "activation relaxation technique, art, speed up slow
1637 author = "E. Canc\`{e}s and F. Legoll and M.-C. Marinica and K.
1638 Minoukadeh and F. Willaime",
1640 title = "Some improvements of the activation-relaxation
1641 technique method for finding transition pathways on
1642 potential energy surfaces",
1645 journal = "The Journal of Chemical Physics",
1651 keywords = "eigenvalues and eigenfunctions; iron; potential energy
1652 surfaces; vacancies (crystal)",
1653 URL = "http://link.aip.org/link/?JCP/130/114711/1",
1654 doi = "10.1063/1.3088532",
1655 notes = "improvements to art, refs for methods to find
1656 transition pathways",
1659 @Article{parrinello81,
1660 author = "M. Parrinello and A. Rahman",
1662 title = "Polymorphic transitions in single crystals: {A} new
1663 molecular dynamics method",
1666 journal = "Journal of Applied Physics",
1669 pages = "7182--7190",
1670 keywords = "MONOCRYSTALS; PHASE TRANSFORMATIONS; STRUCTURAL
1671 MODELS; DYNAMICS; THEORETICAL DATA; STRESSES;
1672 CONFIGURATION; LAGRANGE EQUATIONS; SIZE; NICKEL;
1673 COMPRESSION; TENSILE PROPERTIES; COMPARATIVE
1674 EVALUATIONS; STRAINS; CUBIC LATTICES; HCP LATTICES;
1676 URL = "http://link.aip.org/link/?JAP/52/7182/1",
1677 doi = "10.1063/1.328693",
1680 @Article{stillinger85,
1681 title = "Computer simulation of local order in condensed phases
1683 author = "Frank H. Stillinger and Thomas A. Weber",
1684 journal = "Phys. Rev. B",
1687 pages = "5262--5271",
1691 doi = "10.1103/PhysRevB.31.5262",
1692 publisher = "American Physical Society",
1696 title = "Empirical potential for hydrocarbons for use in
1697 simulating the chemical vapor deposition of diamond
1699 author = "Donald W. Brenner",
1700 journal = "Phys. Rev. B",
1703 pages = "9458--9471",
1707 doi = "10.1103/PhysRevB.42.9458",
1708 publisher = "American Physical Society",
1709 notes = "brenner hydro carbons",
1713 title = "Modeling of Covalent Bonding in Solids by Inversion of
1714 Cohesive Energy Curves",
1715 author = "Martin Z. Bazant and Efthimios Kaxiras",
1716 journal = "Phys. Rev. Lett.",
1719 pages = "4370--4373",
1723 doi = "10.1103/PhysRevLett.77.4370",
1724 publisher = "American Physical Society",
1725 notes = "first si edip",
1729 title = "Environment-dependent interatomic potential for bulk
1731 author = "Martin Z. Bazant and Efthimios Kaxiras and J. F.
1733 journal = "Phys. Rev. B",
1736 pages = "8542--8552",
1740 doi = "10.1103/PhysRevB.56.8542",
1741 publisher = "American Physical Society",
1742 notes = "second si edip",
1746 title = "Interatomic potential for silicon defects and
1748 author = "Jo\tilde{a}o F. Justo and Martin Z. Bazant and
1749 Efthimios Kaxiras and V. V. Bulatov and Sidney Yip",
1750 journal = "Phys. Rev. B",
1753 pages = "2539--2550",
1757 doi = "10.1103/PhysRevB.58.2539",
1758 publisher = "American Physical Society",
1759 notes = "latest si edip, good dislocation explanation",
1763 title = "{PARCAS} molecular dynamics code",
1764 author = "K. Nordlund",
1769 title = "Hyperdynamics: Accelerated Molecular Dynamics of
1771 author = "Arthur F. Voter",
1772 journal = "Phys. Rev. Lett.",
1775 pages = "3908--3911",
1779 doi = "10.1103/PhysRevLett.78.3908",
1780 publisher = "American Physical Society",
1781 notes = "hyperdynamics, accelerated md",
1785 author = "Arthur F. Voter",
1787 title = "A method for accelerating the molecular dynamics
1788 simulation of infrequent events",
1791 journal = "The Journal of Chemical Physics",
1794 pages = "4665--4677",
1795 keywords = "COMPUTERIZED SIMULATION; NICKEL; DIFFUSION; ATOM
1796 TRANSPORT; MOLECULAR ORBITAL METHOD; POTENTIAL ENERGY;
1797 SURFACE POTENTIAL; MOLECULAR DYNAMICS METHOD; potential
1798 energy functions; surface diffusion; reaction kinetics
1799 theory; potential energy surfaces",
1800 URL = "http://link.aip.org/link/?JCP/106/4665/1",
1801 doi = "10.1063/1.473503",
1802 notes = "improved hyperdynamics md",
1805 @Article{sorensen2000,
1806 author = "Mads R. S\o rensen and Arthur F. Voter",
1808 title = "Temperature-accelerated dynamics for simulation of
1812 journal = "The Journal of Chemical Physics",
1815 pages = "9599--9606",
1816 keywords = "SOLID STATE PHYSICS; SIMULATION; DIFFUSION; SURFACES;
1817 MOLECULAR DYNAMICS METHOD; surface diffusion",
1818 URL = "http://link.aip.org/link/?JCP/112/9599/1",
1819 doi = "10.1063/1.481576",
1820 notes = "temperature accelerated dynamics, tad",
1824 title = "Parallel replica method for dynamics of infrequent
1826 author = "Arthur F. Voter",
1827 journal = "Phys. Rev. B",
1830 pages = "R13985--R13988",
1834 doi = "10.1103/PhysRevB.57.R13985",
1835 publisher = "American Physical Society",
1836 notes = "parallel replica method, accelerated md",
1840 author = "Xiongwu Wu and Shaomeng Wang",
1842 title = "Enhancing systematic motion in molecular dynamics
1846 journal = "The Journal of Chemical Physics",
1849 pages = "9401--9410",
1850 keywords = "molecular dynamics method; argon; Lennard-Jones
1851 potential; crystallisation; liquid theory",
1852 URL = "http://link.aip.org/link/?JCP/110/9401/1",
1853 doi = "10.1063/1.478948",
1854 notes = "self guided md, sgmd, accelerated md, enhancing
1858 @Article{choudhary05,
1859 author = "Devashish Choudhary and Paulette Clancy",
1861 title = "Application of accelerated molecular dynamics schemes
1862 to the production of amorphous silicon",
1865 journal = "The Journal of Chemical Physics",
1871 keywords = "molecular dynamics method; silicon; glass structure;
1872 amorphous semiconductors",
1873 URL = "http://link.aip.org/link/?JCP/122/154509/1",
1874 doi = "10.1063/1.1878733",
1875 notes = "explanation of sgmd and hyper md, applied to amorphous
1880 author = "W. J. Taylor and T. Y. Tan and U. G{\"{o}}sele",
1882 title = "Carbon precipitation in silicon: Why is it so
1886 journal = "Applied Physics Letters",
1889 pages = "3336--3338",
1890 keywords = "SILICON; CARBON ADDITIONS; OXYGEN ADDITIONS; DOPED
1891 MATERIALS; PRECIPITATION; THERMODYNAMICS; SURFACE
1893 URL = "http://link.aip.org/link/?APL/62/3336/1",
1894 doi = "10.1063/1.109063",
1895 notes = "interfacial energy of cubic sic and si",
1898 @Article{chaussende08,
1899 title = "Prospects for 3{C}-Si{C} bulk crystal growth",
1900 journal = "Journal of Crystal Growth",
1905 note = "Proceedings of the E-MRS Conference, Symposium G -
1906 Substrates of Wide Bandgap Materials",
1908 doi = "DOI: 10.1016/j.jcrysgro.2007.11.140",
1909 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4R7J67S-F/2/e92fc194b652409f5b119393d608b082",
1910 author = "D. Chaussende and F. Mercier and A. Boulle and F.
1911 Conchon and M. Soueidan and G. Ferro and A. Mantzari
1912 and A. Andreadou and E. K. Polychroniadis and C.
1913 Balloud and S. Juillaguet and J. Camassel and M. Pons",
1914 notes = "3c-sic crystal growth, sic fabrication + links,
1919 title = "Forces in Molecules",
1920 author = "R. P. Feynman",
1921 journal = "Phys. Rev.",
1928 doi = "10.1103/PhysRev.56.340",
1929 publisher = "American Physical Society",
1930 notes = "hellmann feynman forces",
1934 title = "Bonding Arrangements at the $Si-Si{O}_{2}$ and
1935 $Si{C}-Si{O}_{2}$ Interfaces and a Possible Origin of
1936 their Contrasting Properties",
1937 author = "Ryszard Buczko and Stephen J. Pennycook and Sokrates
1939 journal = "Phys. Rev. Lett.",
1946 doi = "10.1103/PhysRevLett.84.943",
1947 publisher = "American Physical Society",
1948 notes = "si sio2 and sic sio2 interface",
1951 @Article{djurabekova08,
1952 title = "Atomistic simulation of the interface structure of Si
1953 nanocrystals embedded in amorphous silica",
1954 author = "Flyura Djurabekova and Kai Nordlund",
1955 journal = "Phys. Rev. B",
1962 doi = "10.1103/PhysRevB.77.115325",
1963 publisher = "American Physical Society",
1964 notes = "nc-si in sio2, interface energy, nc construction,
1965 angular distribution, coordination",
1969 author = "C. Wen and Y. M. Wang and W. Wan and F. H. Li and J.
1970 W. Liang and J. Zou",
1972 title = "Nature of interfacial defects and their roles in
1973 strain relaxation at highly lattice mismatched
1974 3{C}-Si{C}/Si (001) interface",
1977 journal = "Journal of Applied Physics",
1983 keywords = "anelastic relaxation; crystal structure; dislocations;
1984 elemental semiconductors; semiconductor growth;
1985 semiconductor thin films; silicon; silicon compounds;
1986 stacking faults; wide band gap semiconductors",
1987 URL = "http://link.aip.org/link/?JAP/106/073522/1",
1988 doi = "10.1063/1.3234380",
1989 notes = "sic/si interface, follow refs, tem image
1990 deconvolution, dislocation defects",
1993 @Article{kitabatake93,
1994 author = "Makoto Kitabatake and Masahiro Deguchi and Takashi
1997 title = "Simulations and experiments of Si{C} heteroepitaxial
1998 growth on Si(001) surface",
2001 journal = "Journal of Applied Physics",
2004 pages = "4438--4445",
2005 keywords = "SILICON CARBIDES; FILM GROWTH; SIMULATION; MOLECULAR
2006 BEAM EPITAXY; MOLECULAR DYNAMICS CALCULATIONS; SILICON;
2007 MICROSTRUCTURE; ULTRAVIOLET RADIATION; IRRADIATION",
2008 URL = "http://link.aip.org/link/?JAP/74/4438/1",
2009 doi = "10.1063/1.354385",
2010 notes = "mbe and md of sic growth on si, 4 to 5 shrinkage
2014 @Article{pizzagalli03,
2015 title = "Theoretical investigations of a highly mismatched
2016 interface: Si{C}/Si(001)",
2017 author = "Laurent Pizzagalli and Giancarlo Cicero and Alessandra
2019 journal = "Phys. Rev. B",
2026 doi = "10.1103/PhysRevB.68.195302",
2027 publisher = "American Physical Society",
2028 notes = "tersoff md and ab initio sic/si interface study",
2032 title = "Atomic configurations of dislocation core and twin
2033 boundaries in $ 3{C}-Si{C} $ studied by high-resolution
2034 electron microscopy",
2035 author = "C. Y. Tang and F. H. Li and R. Wang and J. Zou and X.
2036 H. Zheng and J. W. Liang",
2037 journal = "Phys. Rev. B",
2044 doi = "10.1103/PhysRevB.75.184103",
2045 publisher = "American Physical Society",
2046 notes = "hrem image deconvolution on 3c-sic on si, distinguish
2050 @Article{hornstra58,
2051 title = "Dislocations in the diamond lattice",
2052 journal = "Journal of Physics and Chemistry of Solids",
2059 doi = "DOI: 10.1016/0022-3697(58)90138-0",
2060 URL = "http://www.sciencedirect.com/science/article/B6TXR-46MMPHJ-10D/2/7176c01c29cd4e73faa26ab2aacdcea5",
2061 author = "J. Hornstra",
2062 notes = "dislocations in diamond lattice",
2065 @Article{eichhorn99,
2066 author = "F. Eichhorn and N. Schell and W. Matz and R.
2069 title = "Strain and Si{C} particle formation in silicon
2070 implanted with carbon ions of medium fluence studied by
2071 synchrotron x-ray diffraction",
2074 journal = "Journal of Applied Physics",
2077 pages = "4184--4187",
2078 keywords = "silicon; carbon; elemental semiconductors; chemical
2079 interdiffusion; ion implantation; X-ray diffraction;
2080 precipitation; semiconductor doping",
2081 URL = "http://link.aip.org/link/?JAP/86/4184/1",
2082 doi = "10.1063/1.371344",
2083 notes = "sic conversion by ibs, detected substitutional
2087 @Article{eichhorn02,
2088 author = "F. Eichhorn and N. Schell and A. M{\"{u}}cklich and H.
2089 Metzger and W. Matz and R. K{\"{o}}gler",
2091 title = "Structural relation between Si and Si{C} formed by
2092 carbon ion implantation",
2095 journal = "Journal of Applied Physics",
2098 pages = "1287--1292",
2099 keywords = "silicon compounds; wide band gap semiconductors; ion
2100 implantation; annealing; X-ray scattering; transmission
2101 electron microscopy",
2102 URL = "http://link.aip.org/link/?JAP/91/1287/1",
2103 doi = "10.1063/1.1428105",
2104 notes = "3c-sic alignement to si host in ibs depending on
2105 temperature, might explain c int to c sub trafo",
2109 author = "G Lucas and M Bertolus and L Pizzagalli",
2110 title = "An environment-dependent interatomic potential for
2111 silicon carbide: calculation of bulk properties,
2112 high-pressure phases, point and extended defects, and
2113 amorphous structures",
2114 journal = "Journal of Physics: Condensed Matter",
2118 URL = "http://stacks.iop.org/0953-8984/22/i=3/a=035802",
2124 author = "J Godet and L Pizzagalli and S Brochard and P
2126 title = "Comparison between classical potentials and ab initio
2127 methods for silicon under large shear",
2128 journal = "Journal of Physics: Condensed Matter",
2132 URL = "http://stacks.iop.org/0953-8984/15/i=41/a=004",
2134 notes = "comparison of empirical potentials, stillinger weber,
2135 edip, tersoff, ab initio",
2138 @Article{moriguchi98,
2139 title = "Verification of Tersoff's Potential for Static
2140 Structural Analysis of Solids of Group-{IV} Elements",
2141 author = "Koji Moriguchi and Akira Shintani",
2142 journal = "Japanese Journal of Applied Physics",
2144 number = "Part 1, No. 2",
2148 URL = "http://jjap.ipap.jp/link?JJAP/37/414/",
2149 doi = "10.1143/JJAP.37.414",
2150 publisher = "The Japan Society of Applied Physics",
2151 notes = "tersoff stringent test",
2154 @Article{holmstroem08,
2155 title = "Threshold defect production in silicon determined by
2156 density functional theory molecular dynamics
2158 author = "E. Holmstr{\"o}m and A. Kuronen and K. Nordlund",
2159 journal = "Phys. Rev. B",
2166 doi = "10.1103/PhysRevB.78.045202",
2167 publisher = "American Physical Society",
2168 notes = "threshold displacement comparison empirical and ab
2172 @Article{nordlund97,
2173 title = "Repulsive interatomic potentials calculated using
2174 Hartree-Fock and density-functional theory methods",
2175 journal = "Nuclear Instruments and Methods in Physics Research
2176 Section B: Beam Interactions with Materials and Atoms",
2183 doi = "DOI: 10.1016/S0168-583X(97)00447-3",
2184 URL = "http://www.sciencedirect.com/science/article/B6TJN-4CP0TGF-91/2/1a9100c0aae82d2d258fc83dfdba23c1",
2185 author = "K. Nordlund and N. Runeberg and D. Sundholm",
2186 notes = "repulsive ab initio potential",
2190 title = "Efficiency of ab-initio total energy calculations for
2191 metals and semiconductors using a plane-wave basis
2193 journal = "Computational Materials Science",
2200 doi = "DOI: 10.1016/0927-0256(96)00008-0",
2201 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74",
2202 author = "G. Kresse and J. Furthm{\"{u}}ller",
2207 title = "Projector augmented-wave method",
2208 author = "P. E. Bl{\"o}chl",
2209 journal = "Phys. Rev. B",
2212 pages = "17953--17979",
2216 doi = "10.1103/PhysRevB.50.17953",
2217 publisher = "American Physical Society",
2218 notes = "paw method",
2222 title = "Norm-Conserving Pseudopotentials",
2223 author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
2224 journal = "Phys. Rev. Lett.",
2227 pages = "1494--1497",
2231 doi = "10.1103/PhysRevLett.43.1494",
2232 publisher = "American Physical Society",
2233 notes = "norm-conserving pseudopotentials",
2236 @Article{vanderbilt90,
2237 title = "Soft self-consistent pseudopotentials in a generalized
2238 eigenvalue formalism",
2239 author = "David Vanderbilt",
2240 journal = "Phys. Rev. B",
2243 pages = "7892--7895",
2247 doi = "10.1103/PhysRevB.41.7892",
2248 publisher = "American Physical Society",
2249 notes = "vasp pseudopotentials",
2253 title = "Accurate and simple density functional for the
2254 electronic exchange energy: Generalized gradient
2256 author = "John P. Perdew and Wang Yue",
2257 journal = "Phys. Rev. B",
2260 pages = "8800--8802",
2264 doi = "10.1103/PhysRevB.33.8800",
2265 publisher = "American Physical Society",
2266 notes = "rapid communication gga",
2270 title = "Generalized gradient approximations for exchange and
2271 correlation: {A} look backward and forward",
2272 journal = "Physica B: Condensed Matter",
2279 doi = "DOI: 10.1016/0921-4526(91)90409-8",
2280 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8GR9-3D/2/18e610a616e4d80b934079c89063ece7",
2281 author = "John P. Perdew",
2282 notes = "gga overview",
2286 title = "Atoms, molecules, solids, and surfaces: Applications
2287 of the generalized gradient approximation for exchange
2289 author = "John P. Perdew and J. A. Chevary and S. H. Vosko and
2290 Koblar A. Jackson and Mark R. Pederson and D. J. Singh
2291 and Carlos Fiolhais",
2292 journal = "Phys. Rev. B",
2295 pages = "6671--6687",
2299 doi = "10.1103/PhysRevB.46.6671",
2300 publisher = "American Physical Society",
2301 notes = "gga pw91 (as in vasp)",
2304 @Article{baldereschi73,
2305 title = "Mean-Value Point in the Brillouin Zone",
2306 author = "A. Baldereschi",
2307 journal = "Phys. Rev. B",
2310 pages = "5212--5215",
2314 doi = "10.1103/PhysRevB.7.5212",
2315 publisher = "American Physical Society",
2316 notes = "mean value k point",
2320 title = "Ab initio pseudopotential calculations of dopant
2322 journal = "Computational Materials Science",
2329 doi = "DOI: 10.1016/S0927-0256(98)00023-8",
2330 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VB7F2K-7/2/aa864582273be8e054300efb7bd16a1b",
2331 author = "Jing Zhu",
2332 keywords = "TED (transient enhanced diffusion)",
2333 keywords = "Boron dopant",
2334 keywords = "Carbon dopant",
2335 keywords = "Defect",
2336 keywords = "ab initio pseudopotential method",
2337 keywords = "Impurity cluster",
2338 notes = "binding of c to si interstitial, c in si defects",
2342 author = "A. Nejim and P. L. F. Hemment and J. Stoemenos",
2344 title = "Si{C} buried layer formation by ion beam synthesis at
2348 journal = "Applied Physics Letters",
2351 pages = "2646--2648",
2352 keywords = "SILICON; ION IMPLANTATION; CARBON IONS; SILICON
2353 CARBIDES; BURIED LAYERS; SYNTHESIS; KEV RANGE 100 --
2354 1000; CRYSTAL DEFECTS; MORPHOLOGY; RBS; TRANSMISSION
2355 ELECTRON MICROSCOPY",
2356 URL = "http://link.aip.org/link/?APL/66/2646/1",
2357 doi = "10.1063/1.113112",
2358 notes = "precipitation mechanism by substitutional carbon, si
2359 self interstitials react with further implanted c",
2363 author = "C. Guedj and M. W. Dashiell and L. Kulik and J.
2364 Kolodzey and A. Hairie",
2366 title = "Precipitation of beta-Si{C} in Si[sub 1 - y]{C}[sub y]
2370 journal = "Journal of Applied Physics",
2373 pages = "4631--4633",
2374 keywords = "silicon compounds; precipitation; localised modes;
2375 semiconductor epitaxial layers; infrared spectra;
2376 Fourier transform spectra; thermal stability;
2378 URL = "http://link.aip.org/link/?JAP/84/4631/1",
2379 doi = "10.1063/1.368703",
2380 notes = "coherent 3C-SiC, topotactic",
2384 author = "R Jones and B J Coomer and P R Briddon",
2385 title = "Quantum mechanical modelling of defects in
2387 journal = "Journal of Physics: Condensed Matter",
2391 URL = "http://stacks.iop.org/0953-8984/16/i=27/a=004",
2393 notes = "ab inito init, vibrational modes, c defect in si",
2397 author = "S. Y. Park and J. D'Arcy-Gall and D. Gall and J. A. N.
2398 T Soares and Y.-W. Kim and H. Kim and P. Desjardins and
2399 J. E. Greene and S. G. Bishop",
2401 title = "Carbon incorporation pathways and lattice sites in
2402 Si[sub 1 - y]{C}[sub y] alloys grown on Si(001) by
2403 molecular-beam epitaxy",
2406 journal = "Journal of Applied Physics",
2409 pages = "5716--5727",
2410 URL = "http://link.aip.org/link/?JAP/91/5716/1",
2411 doi = "10.1063/1.1465122",
2412 notes = "c substitutional incorporation pathway, dft and expt",
2416 title = "Dynamic properties of interstitial carbon and
2417 carbon-carbon pair defects in silicon",
2418 author = "P. Leary and R. Jones and S. {\"O}berg and V. J. B.
2420 journal = "Phys. Rev. B",
2423 pages = "2188--2194",
2427 doi = "10.1103/PhysRevB.55.2188",
2428 publisher = "American Physical Society",
2429 notes = "ab initio c in si and di-carbon defect, no formation
2434 title = "Interstitial carbon and the carbon-carbon pair in
2435 silicon: Semiempirical electronic-structure
2437 author = "Matthew J. Burnard and Gary G. DeLeo",
2438 journal = "Phys. Rev. B",
2441 pages = "10217--10225",
2445 doi = "10.1103/PhysRevB.47.10217",
2446 publisher = "American Physical Society",
2447 notes = "semi empirical mndo, pm3 and mindo3 c in si and di
2448 carbon defect, formation energies",
2452 title = "Review of atomistic simulations of surface diffusion
2453 and growth on semiconductors",
2454 journal = "Computational Materials Science",
2459 note = "Proceedings of the Workshop on Virtual Molecular Beam
2462 doi = "DOI: 10.1016/0927-0256(96)00030-4",
2463 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VSFF1G-7/2/afc8408b00ded1ca2dc3ad1686c2dae6",
2464 author = "Efthimios Kaxiras",
2465 notes = "might contain c 100 db formation energy, overview md,
2466 tight binding, first principles",
2469 @Article{kaukonen98,
2470 title = "Effect of {N} and {B} doping on the growth of {CVD}
2472 $(100):{H}(2\ifmmode\times\else\texttimes\fi{}1)$
2474 author = "M. Kaukonen and P. K. Sitch and G. Jungnickel and R.
2475 M. Nieminen and Sami P{\"o}ykk{\"o} and D. Porezag and
2477 journal = "Phys. Rev. B",
2480 pages = "9965--9970",
2484 doi = "10.1103/PhysRevB.57.9965",
2485 publisher = "American Physical Society",
2486 notes = "constrained conjugate gradient relaxation technique