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",
1144 @Article{giancarli98,
1145 title = "Design requirements for Si{C}/Si{C} composites
1146 structural material in fusion power reactor blankets",
1147 journal = "Fusion Engineering and Design",
1153 doi = "DOI: 10.1016/S0920-3796(97)00200-7",
1154 URL = "http://www.sciencedirect.com/science/article/B6V3C-3V8RYK8-T/2/16949194114900fd1330f79892d7a7be",
1155 author = "L. Giancarli and J. P. Bonal and A. Caso and G. Le
1156 Marois and N. B. Morley and J. F. Salavy",
1160 title = "Electrical and optical characterization of Si{C}",
1161 journal = "Physica B: Condensed Matter",
1167 doi = "DOI: 10.1016/0921-4526(93)90249-6",
1168 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8HRX-99/2/eab9398bf2bbf10df3ae42c2ab28a776",
1169 author = "G. Pensl and W. J. Choyke",
1173 title = "Investigation of growth processes of ingots of silicon
1174 carbide single crystals",
1175 journal = "Journal of Crystal Growth",
1180 notes = "modified lely process",
1182 doi = "DOI: 10.1016/0022-0248(78)90169-0",
1183 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BY2NR-7S/2/fa6fee78ebd8322491f6366e72d5b6dc",
1184 author = "Yu. M. Tairov and V. F. Tsvetkov",
1188 author = "Shigehiro Nishino and J. Anthony Powell and Herbert A.
1191 title = "Production of large-area single-crystal wafers of
1192 cubic Si{C} for semiconductor devices",
1195 journal = "Applied Physics Letters",
1199 keywords = "silicon carbides; layers; chemical vapor deposition;
1201 URL = "http://link.aip.org/link/?APL/42/460/1",
1202 doi = "10.1063/1.93970",
1203 notes = "cvd of 3c-sic on si, sic buffer layer",
1207 author = "Shigehiro Nishino and Hajime Suhara and Hideyuki Ono
1208 and Hiroyuki Matsunami",
1210 title = "Epitaxial growth and electric characteristics of cubic
1214 journal = "Journal of Applied Physics",
1217 pages = "4889--4893",
1218 URL = "http://link.aip.org/link/?JAP/61/4889/1",
1219 doi = "10.1063/1.338355",
1220 notes = "cvd of 3c-sic on si, sic buffer layer, first time
1225 author = "J. Anthony Powell and Lawrence G. Matus and Maria A.
1227 title = "Growth and Characterization of Cubic Si{C}
1228 Single-Crystal Films on Si",
1231 journal = "Journal of The Electrochemical Society",
1234 pages = "1558--1565",
1235 keywords = "semiconductor materials; silicon compounds; carbon
1236 compounds; crystal morphology; electron mobility",
1237 URL = "http://link.aip.org/link/?JES/134/1558/1",
1238 doi = "10.1149/1.2100708",
1239 notes = "blue light emitting diodes (led)",
1243 author = "Tsunenobu Kimoto and Hironori Nishino and Woo Sik Yoo
1244 and Hiroyuki Matsunami",
1245 title = "Growth mechanism of 6{H}-Si{C} in step-controlled
1249 journal = "Journal of Applied Physics",
1253 keywords = "SILICON CARBIDES; EPITAXY; GROWTH RATE; TEMPERATURE
1254 RANGE 10004000 K; TWINNING; ACTIVATION ENERGY; CHEMICAL
1256 URL = "http://link.aip.org/link/?JAP/73/726/1",
1257 doi = "10.1063/1.353329",
1258 notes = "cvd of 6h-sic on 6h-sic, twinned 3c-sic",
1262 author = "J. A. Powell and D. J. Larkin and L. G. Matus and W.
1263 J. Choyke and J. L. Bradshaw and L. Henderson and M.
1264 Yoganathan and J. Yang and P. Pirouz",
1266 title = "Growth of improved quality 3{C}-Si{C} films on
1267 6{H}-Si{C} substrates",
1270 journal = "Applied Physics Letters",
1273 pages = "1353--1355",
1274 keywords = "SILICON CARBIDES; CHEMICAL VAPOR DEPOSITION; SORPTIVE
1275 PROPERTIES; PHOTOLUMINESCENCE; TRANSMISSION ELECTRON
1276 MICROSCOPY; DEFECT STRUCTURE; STACKING FAULTS; VAPOR
1278 URL = "http://link.aip.org/link/?APL/56/1353/1",
1279 doi = "10.1063/1.102512",
1280 notes = "cvd of 3c-sic on 6h-sic",
1284 author = "C. Yuan and A. J. Steckl and J. Chaudhuri and R.
1285 Thokala and M. J. Loboda",
1287 title = "Reduced temperature growth of crystalline 3{C}-Si{C}
1288 films on 6{H}-Si{C} by chemical vapor deposition from
1292 journal = "Journal of Applied Physics",
1295 pages = "1271--1273",
1296 keywords = "SILICON CARBIDES; THIN FILMS; CVD; EPITAXY; ABSORPTION
1297 EDGE; CRYSTAL STRUCTURE; STRAINS; DISLOCATIONS; XRD;
1299 URL = "http://link.aip.org/link/?JAP/78/1271/1",
1300 doi = "10.1063/1.360368",
1301 notes = "3c-sic on 6h-sic, cvd, reduced temperature",
1305 title = "Epitaxial growth of Si{C} thin films on Si-stabilized
1306 [alpha]-Si{C}(0001) at low temperatures by solid-source
1307 molecular beam epitaxy",
1308 journal = "Journal of Crystal Growth",
1314 doi = "DOI: 10.1016/0022-0248(95)00170-0",
1315 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3Y5MMXM-1N/2/65549019b878bf02d5ec645b7eea9e98",
1316 author = "A. Fissel and U. Kaiser and E. Ducke and B.
1317 Schr{\"{o}}ter and W. Richter",
1318 notes = "solid source mbe of 3c-sic on si and 6h-sic",
1321 @Article{fissel95_apl,
1322 author = "A. Fissel and B. Schr{\"{o}}ter and W. Richter",
1324 title = "Low-temperature growth of Si{C} thin films on Si and
1325 6{H}--Si{C} by solid-source molecular beam epitaxy",
1328 journal = "Applied Physics Letters",
1331 pages = "3182--3184",
1332 keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
1334 URL = "http://link.aip.org/link/?APL/66/3182/1",
1335 doi = "10.1063/1.113716",
1336 notes = "mbe 3c-sic on si and 6h-sic",
1340 author = "J. A. Borders and S. T. Picraux and W. Beezhold",
1342 title = "{FORMATION} {OF} Si{C} {IN} {SILICON} {BY} {ION}
1346 journal = "Applied Physics Letters",
1350 URL = "http://link.aip.org/link/?APL/18/509/1",
1351 doi = "10.1063/1.1653516",
1352 notes = "first time sic by ibs, follow cites for precipitation
1357 author = "K. J. Reeson and P. L. F. Hemment and J. Stoemenos and
1358 J. Davis and G. E. Celler",
1360 title = "Formation of buried layers of beta-Si{C} using ion
1361 beam synthesis and incoherent lamp annealing",
1364 journal = "Applied Physics Letters",
1367 pages = "2242--2244",
1368 keywords = "SILICON CARBIDES; FILM GROWTH; SOLIDPHASE EPITAXY; ION
1369 IMPLANTATION; CARBON IONS; DOPING PROFILES; SYNTHESIS",
1370 URL = "http://link.aip.org/link/?APL/51/2242/1",
1371 doi = "10.1063/1.98953",
1372 notes = "nice tem images, sic by ibs",
1376 author = "R. I. Scace and G. A. Slack",
1378 title = "Solubility of Carbon in Silicon and Germanium",
1381 journal = "The Journal of Chemical Physics",
1384 pages = "1551--1555",
1385 URL = "http://link.aip.org/link/?JCP/30/1551/1",
1386 doi = "10.1063/1.1730236",
1387 notes = "solubility of c in c-si, si-c phase diagram",
1391 author = "N. E. B. Cowern and A. Cacciato and J. S. Custer and
1392 F. W. Saris and W. Vandervorst",
1394 title = "Role of {C} and {B} clusters in transient diffusion of
1398 journal = "Applied Physics Letters",
1401 pages = "1150--1152",
1402 keywords = "ATOMIC CLUSTERS; BORON ADDITIONS; CRYSTAL DOPING;
1403 DIFFUSION; DOPED MATERIALS; IMPURITIES; INTERSTITIALS;
1405 URL = "http://link.aip.org/link/?APL/68/1150/1",
1406 doi = "10.1063/1.115706",
1407 notes = "suppression of transient enhanced diffusion (ted)",
1411 title = "Implantation and transient boron diffusion: the role
1412 of the silicon self-interstitial",
1413 journal = "Nuclear Instruments and Methods in Physics Research
1414 Section B: Beam Interactions with Materials and Atoms",
1419 note = "Selected Papers of the Tenth International Conference
1420 on Ion Implantation Technology (IIT '94)",
1422 doi = "DOI: 10.1016/0168-583X(94)00481-1",
1423 URL = "http://www.sciencedirect.com/science/article/B6TJN-40WKY1P-29/2/602c6e5b809221323d2d2968edd0a71c",
1424 author = "P. A. Stolk and H. -J. Gossmann and D. J. Eaglesham
1429 author = "P. A. Stolk and H.-J. Gossmann and D. J. Eaglesham and
1430 D. C. Jacobson and C. S. Rafferty and G. H. Gilmer and
1431 M. Jara\'{\i}z and J. M. Poate and H. S. Luftman and T.
1434 title = "Physical mechanisms of transient enhanced dopant
1435 diffusion in ion-implanted silicon",
1438 journal = "Journal of Applied Physics",
1441 pages = "6031--6050",
1442 URL = "http://link.aip.org/link/?JAP/81/6031/1",
1443 doi = "10.1063/1.364452",
1444 notes = "ted, transient enhanced diffusion, c silicon trap",
1448 author = "A. R. Powell and F. K. LeGoues and S. S. Iyer",
1450 title = "Formation of beta-Si{C} nanocrystals by the relaxation
1451 of Si[sub 1 - y]{C}[sub y] random alloy layers",
1454 journal = "Applied Physics Letters",
1458 keywords = "SILICON CARBIDES; NANOSTRUCTURES; DISPERSIONS;
1459 EPITAXIAL LAYERS; STRESS RELAXATION; ANNEALING;
1460 TEMPERATURE EFFECTS; PRECIPITATION; DISLOCATIONS;
1462 URL = "http://link.aip.org/link/?APL/64/324/1",
1463 doi = "10.1063/1.111195",
1464 notes = "beta sic nano crystals in si, mbe, annealing",
1468 author = "Richard A. Soref",
1470 title = "Optical band gap of the ternary semiconductor Si[sub 1
1471 - x - y]Ge[sub x]{C}[sub y]",
1474 journal = "Journal of Applied Physics",
1477 pages = "2470--2472",
1478 keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; ENERGY GAP;
1479 OPTICAL PROPERTIES; DIAMONDS; SEMICONDUCTOR ALLOYS;
1481 URL = "http://link.aip.org/link/?JAP/70/2470/1",
1482 doi = "10.1063/1.349403",
1483 notes = "band gap of strained si by c",
1487 author = "E Kasper",
1488 title = "Superlattices of group {IV} elements, a new
1489 possibility to produce direct band gap material",
1490 journal = "Physica Scripta",
1493 URL = "http://stacks.iop.org/1402-4896/T35/232",
1495 notes = "superlattices, convert indirect band gap into a
1500 author = "H. J. Osten and J. Griesche and S. Scalese",
1502 title = "Substitutional carbon incorporation in epitaxial
1503 Si[sub 1 - y]{C}[sub y] alloys on Si(001) grown by
1504 molecular beam epitaxy",
1507 journal = "Applied Physics Letters",
1511 keywords = "molecular beam epitaxial growth; semiconductor growth;
1512 wide band gap semiconductors; interstitials; silicon
1514 URL = "http://link.aip.org/link/?APL/74/836/1",
1515 doi = "10.1063/1.123384",
1516 notes = "substitutional c in si",
1519 @Article{hohenberg64,
1520 title = "Inhomogeneous Electron Gas",
1521 author = "P. Hohenberg and W. Kohn",
1522 journal = "Phys. Rev.",
1525 pages = "B864--B871",
1529 doi = "10.1103/PhysRev.136.B864",
1530 publisher = "American Physical Society",
1531 notes = "density functional theory, dft",
1535 title = "Self-Consistent Equations Including Exchange and
1536 Correlation Effects",
1537 author = "W. Kohn and L. J. Sham",
1538 journal = "Phys. Rev.",
1541 pages = "A1133--A1138",
1545 doi = "10.1103/PhysRev.140.A1133",
1546 publisher = "American Physical Society",
1547 notes = "dft, exchange and correlation",
1551 title = "Strain-stabilized highly concentrated pseudomorphic
1552 $Si1-x$$Cx$ layers in Si",
1553 author = "H. R{\"u}cker and M. Methfessel and E. Bugiel and H.
1555 journal = "Phys. Rev. Lett.",
1558 pages = "3578--3581",
1562 doi = "10.1103/PhysRevLett.72.3578",
1563 publisher = "American Physical Society",
1564 notes = "high c concentration in si, heterostructure, starined
1569 title = "Electron Transport Model for Strained Silicon-Carbon
1571 author = "Shu-Tong Chang and Chung-Yi Lin",
1572 journal = "Japanese Journal of Applied Physics",
1575 pages = "2257--2262",
1578 URL = "http://jjap.ipap.jp/link?JJAP/44/2257/",
1579 doi = "10.1143/JJAP.44.2257",
1580 publisher = "The Japan Society of Applied Physics",
1581 notes = "enhance of electron mobility in starined si",
1585 author = "H. J. Osten and P. Gaworzewski",
1587 title = "Charge transport in strained Si[sub 1 - y]{C}[sub y]
1588 and Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloys on
1592 journal = "Journal of Applied Physics",
1595 pages = "4977--4981",
1596 keywords = "silicon compounds; Ge-Si alloys; wide band gap
1597 semiconductors; semiconductor epitaxial layers; carrier
1598 density; Hall mobility; interstitials; defect states",
1599 URL = "http://link.aip.org/link/?JAP/82/4977/1",
1600 doi = "10.1063/1.366364",
1601 notes = "charge transport in strained si",
1605 title = "Carbon-mediated aggregation of self-interstitials in
1606 silicon: {A} large-scale molecular dynamics study",
1607 author = "Sumeet S. Kapur and Manish Prasad and Talid Sinno",
1608 journal = "Phys. Rev. B",
1615 doi = "10.1103/PhysRevB.69.155214",
1616 publisher = "American Physical Society",
1617 notes = "simulation using promising tersoff reparametrization",
1621 title = "Event-Based Relaxation of Continuous Disordered
1623 author = "G. T. Barkema and Normand Mousseau",
1624 journal = "Phys. Rev. Lett.",
1627 pages = "4358--4361",
1631 doi = "10.1103/PhysRevLett.77.4358",
1632 publisher = "American Physical Society",
1633 notes = "activation relaxation technique, art, speed up slow
1638 author = "E. Canc\`{e}s and F. Legoll and M.-C. Marinica and K.
1639 Minoukadeh and F. Willaime",
1641 title = "Some improvements of the activation-relaxation
1642 technique method for finding transition pathways on
1643 potential energy surfaces",
1646 journal = "The Journal of Chemical Physics",
1652 keywords = "eigenvalues and eigenfunctions; iron; potential energy
1653 surfaces; vacancies (crystal)",
1654 URL = "http://link.aip.org/link/?JCP/130/114711/1",
1655 doi = "10.1063/1.3088532",
1656 notes = "improvements to art, refs for methods to find
1657 transition pathways",
1660 @Article{parrinello81,
1661 author = "M. Parrinello and A. Rahman",
1663 title = "Polymorphic transitions in single crystals: {A} new
1664 molecular dynamics method",
1667 journal = "Journal of Applied Physics",
1670 pages = "7182--7190",
1671 keywords = "MONOCRYSTALS; PHASE TRANSFORMATIONS; STRUCTURAL
1672 MODELS; DYNAMICS; THEORETICAL DATA; STRESSES;
1673 CONFIGURATION; LAGRANGE EQUATIONS; SIZE; NICKEL;
1674 COMPRESSION; TENSILE PROPERTIES; COMPARATIVE
1675 EVALUATIONS; STRAINS; CUBIC LATTICES; HCP LATTICES;
1677 URL = "http://link.aip.org/link/?JAP/52/7182/1",
1678 doi = "10.1063/1.328693",
1681 @Article{stillinger85,
1682 title = "Computer simulation of local order in condensed phases
1684 author = "Frank H. Stillinger and Thomas A. Weber",
1685 journal = "Phys. Rev. B",
1688 pages = "5262--5271",
1692 doi = "10.1103/PhysRevB.31.5262",
1693 publisher = "American Physical Society",
1697 title = "Empirical potential for hydrocarbons for use in
1698 simulating the chemical vapor deposition of diamond
1700 author = "Donald W. Brenner",
1701 journal = "Phys. Rev. B",
1704 pages = "9458--9471",
1708 doi = "10.1103/PhysRevB.42.9458",
1709 publisher = "American Physical Society",
1710 notes = "brenner hydro carbons",
1714 title = "Modeling of Covalent Bonding in Solids by Inversion of
1715 Cohesive Energy Curves",
1716 author = "Martin Z. Bazant and Efthimios Kaxiras",
1717 journal = "Phys. Rev. Lett.",
1720 pages = "4370--4373",
1724 doi = "10.1103/PhysRevLett.77.4370",
1725 publisher = "American Physical Society",
1726 notes = "first si edip",
1730 title = "Environment-dependent interatomic potential for bulk
1732 author = "Martin Z. Bazant and Efthimios Kaxiras and J. F.
1734 journal = "Phys. Rev. B",
1737 pages = "8542--8552",
1741 doi = "10.1103/PhysRevB.56.8542",
1742 publisher = "American Physical Society",
1743 notes = "second si edip",
1747 title = "Interatomic potential for silicon defects and
1749 author = "Jo\tilde{a}o F. Justo and Martin Z. Bazant and
1750 Efthimios Kaxiras and V. V. Bulatov and Sidney Yip",
1751 journal = "Phys. Rev. B",
1754 pages = "2539--2550",
1758 doi = "10.1103/PhysRevB.58.2539",
1759 publisher = "American Physical Society",
1760 notes = "latest si edip, good dislocation explanation",
1764 title = "{PARCAS} molecular dynamics code",
1765 author = "K. Nordlund",
1770 title = "Hyperdynamics: Accelerated Molecular Dynamics of
1772 author = "Arthur F. Voter",
1773 journal = "Phys. Rev. Lett.",
1776 pages = "3908--3911",
1780 doi = "10.1103/PhysRevLett.78.3908",
1781 publisher = "American Physical Society",
1782 notes = "hyperdynamics, accelerated md",
1786 author = "Arthur F. Voter",
1788 title = "A method for accelerating the molecular dynamics
1789 simulation of infrequent events",
1792 journal = "The Journal of Chemical Physics",
1795 pages = "4665--4677",
1796 keywords = "COMPUTERIZED SIMULATION; NICKEL; DIFFUSION; ATOM
1797 TRANSPORT; MOLECULAR ORBITAL METHOD; POTENTIAL ENERGY;
1798 SURFACE POTENTIAL; MOLECULAR DYNAMICS METHOD; potential
1799 energy functions; surface diffusion; reaction kinetics
1800 theory; potential energy surfaces",
1801 URL = "http://link.aip.org/link/?JCP/106/4665/1",
1802 doi = "10.1063/1.473503",
1803 notes = "improved hyperdynamics md",
1806 @Article{sorensen2000,
1807 author = "Mads R. S\o rensen and Arthur F. Voter",
1809 title = "Temperature-accelerated dynamics for simulation of
1813 journal = "The Journal of Chemical Physics",
1816 pages = "9599--9606",
1817 keywords = "SOLID STATE PHYSICS; SIMULATION; DIFFUSION; SURFACES;
1818 MOLECULAR DYNAMICS METHOD; surface diffusion",
1819 URL = "http://link.aip.org/link/?JCP/112/9599/1",
1820 doi = "10.1063/1.481576",
1821 notes = "temperature accelerated dynamics, tad",
1825 title = "Parallel replica method for dynamics of infrequent
1827 author = "Arthur F. Voter",
1828 journal = "Phys. Rev. B",
1831 pages = "R13985--R13988",
1835 doi = "10.1103/PhysRevB.57.R13985",
1836 publisher = "American Physical Society",
1837 notes = "parallel replica method, accelerated md",
1841 author = "Xiongwu Wu and Shaomeng Wang",
1843 title = "Enhancing systematic motion in molecular dynamics
1847 journal = "The Journal of Chemical Physics",
1850 pages = "9401--9410",
1851 keywords = "molecular dynamics method; argon; Lennard-Jones
1852 potential; crystallisation; liquid theory",
1853 URL = "http://link.aip.org/link/?JCP/110/9401/1",
1854 doi = "10.1063/1.478948",
1855 notes = "self guided md, sgmd, accelerated md, enhancing
1859 @Article{choudhary05,
1860 author = "Devashish Choudhary and Paulette Clancy",
1862 title = "Application of accelerated molecular dynamics schemes
1863 to the production of amorphous silicon",
1866 journal = "The Journal of Chemical Physics",
1872 keywords = "molecular dynamics method; silicon; glass structure;
1873 amorphous semiconductors",
1874 URL = "http://link.aip.org/link/?JCP/122/154509/1",
1875 doi = "10.1063/1.1878733",
1876 notes = "explanation of sgmd and hyper md, applied to amorphous
1881 author = "W. J. Taylor and T. Y. Tan and U. G{\"{o}}sele",
1883 title = "Carbon precipitation in silicon: Why is it so
1887 journal = "Applied Physics Letters",
1890 pages = "3336--3338",
1891 keywords = "SILICON; CARBON ADDITIONS; OXYGEN ADDITIONS; DOPED
1892 MATERIALS; PRECIPITATION; THERMODYNAMICS; SURFACE
1894 URL = "http://link.aip.org/link/?APL/62/3336/1",
1895 doi = "10.1063/1.109063",
1896 notes = "interfacial energy of cubic sic and si",
1899 @Article{chaussende08,
1900 title = "Prospects for 3{C}-Si{C} bulk crystal growth",
1901 journal = "Journal of Crystal Growth",
1906 note = "Proceedings of the E-MRS Conference, Symposium G -
1907 Substrates of Wide Bandgap Materials",
1909 doi = "DOI: 10.1016/j.jcrysgro.2007.11.140",
1910 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4R7J67S-F/2/e92fc194b652409f5b119393d608b082",
1911 author = "D. Chaussende and F. Mercier and A. Boulle and F.
1912 Conchon and M. Soueidan and G. Ferro and A. Mantzari
1913 and A. Andreadou and E. K. Polychroniadis and C.
1914 Balloud and S. Juillaguet and J. Camassel and M. Pons",
1915 notes = "3c-sic crystal growth, sic fabrication + links,
1920 title = "Forces in Molecules",
1921 author = "R. P. Feynman",
1922 journal = "Phys. Rev.",
1929 doi = "10.1103/PhysRev.56.340",
1930 publisher = "American Physical Society",
1931 notes = "hellmann feynman forces",
1935 title = "Bonding Arrangements at the $Si-Si{O}_{2}$ and
1936 $Si{C}-Si{O}_{2}$ Interfaces and a Possible Origin of
1937 their Contrasting Properties",
1938 author = "Ryszard Buczko and Stephen J. Pennycook and Sokrates
1940 journal = "Phys. Rev. Lett.",
1947 doi = "10.1103/PhysRevLett.84.943",
1948 publisher = "American Physical Society",
1949 notes = "si sio2 and sic sio2 interface",
1952 @Article{djurabekova08,
1953 title = "Atomistic simulation of the interface structure of Si
1954 nanocrystals embedded in amorphous silica",
1955 author = "Flyura Djurabekova and Kai Nordlund",
1956 journal = "Phys. Rev. B",
1963 doi = "10.1103/PhysRevB.77.115325",
1964 publisher = "American Physical Society",
1965 notes = "nc-si in sio2, interface energy, nc construction,
1966 angular distribution, coordination",
1970 author = "C. Wen and Y. M. Wang and W. Wan and F. H. Li and J.
1971 W. Liang and J. Zou",
1973 title = "Nature of interfacial defects and their roles in
1974 strain relaxation at highly lattice mismatched
1975 3{C}-Si{C}/Si (001) interface",
1978 journal = "Journal of Applied Physics",
1984 keywords = "anelastic relaxation; crystal structure; dislocations;
1985 elemental semiconductors; semiconductor growth;
1986 semiconductor thin films; silicon; silicon compounds;
1987 stacking faults; wide band gap semiconductors",
1988 URL = "http://link.aip.org/link/?JAP/106/073522/1",
1989 doi = "10.1063/1.3234380",
1990 notes = "sic/si interface, follow refs, tem image
1991 deconvolution, dislocation defects",
1994 @Article{kitabatake93,
1995 author = "Makoto Kitabatake and Masahiro Deguchi and Takashi
1998 title = "Simulations and experiments of Si{C} heteroepitaxial
1999 growth on Si(001) surface",
2002 journal = "Journal of Applied Physics",
2005 pages = "4438--4445",
2006 keywords = "SILICON CARBIDES; FILM GROWTH; SIMULATION; MOLECULAR
2007 BEAM EPITAXY; MOLECULAR DYNAMICS CALCULATIONS; SILICON;
2008 MICROSTRUCTURE; ULTRAVIOLET RADIATION; IRRADIATION",
2009 URL = "http://link.aip.org/link/?JAP/74/4438/1",
2010 doi = "10.1063/1.354385",
2011 notes = "mbe and md of sic growth on si, 4 to 5 shrinkage
2015 @Article{pizzagalli03,
2016 title = "Theoretical investigations of a highly mismatched
2017 interface: Si{C}/Si(001)",
2018 author = "Laurent Pizzagalli and Giancarlo Cicero and Alessandra
2020 journal = "Phys. Rev. B",
2027 doi = "10.1103/PhysRevB.68.195302",
2028 publisher = "American Physical Society",
2029 notes = "tersoff md and ab initio sic/si interface study",
2033 title = "Atomic configurations of dislocation core and twin
2034 boundaries in $ 3{C}-Si{C} $ studied by high-resolution
2035 electron microscopy",
2036 author = "C. Y. Tang and F. H. Li and R. Wang and J. Zou and X.
2037 H. Zheng and J. W. Liang",
2038 journal = "Phys. Rev. B",
2045 doi = "10.1103/PhysRevB.75.184103",
2046 publisher = "American Physical Society",
2047 notes = "hrem image deconvolution on 3c-sic on si, distinguish
2051 @Article{hornstra58,
2052 title = "Dislocations in the diamond lattice",
2053 journal = "Journal of Physics and Chemistry of Solids",
2060 doi = "DOI: 10.1016/0022-3697(58)90138-0",
2061 URL = "http://www.sciencedirect.com/science/article/B6TXR-46MMPHJ-10D/2/7176c01c29cd4e73faa26ab2aacdcea5",
2062 author = "J. Hornstra",
2063 notes = "dislocations in diamond lattice",
2066 @Article{eichhorn99,
2067 author = "F. Eichhorn and N. Schell and W. Matz and R.
2070 title = "Strain and Si{C} particle formation in silicon
2071 implanted with carbon ions of medium fluence studied by
2072 synchrotron x-ray diffraction",
2075 journal = "Journal of Applied Physics",
2078 pages = "4184--4187",
2079 keywords = "silicon; carbon; elemental semiconductors; chemical
2080 interdiffusion; ion implantation; X-ray diffraction;
2081 precipitation; semiconductor doping",
2082 URL = "http://link.aip.org/link/?JAP/86/4184/1",
2083 doi = "10.1063/1.371344",
2084 notes = "sic conversion by ibs, detected substitutional
2088 @Article{eichhorn02,
2089 author = "F. Eichhorn and N. Schell and A. M{\"{u}}cklich and H.
2090 Metzger and W. Matz and R. K{\"{o}}gler",
2092 title = "Structural relation between Si and Si{C} formed by
2093 carbon ion implantation",
2096 journal = "Journal of Applied Physics",
2099 pages = "1287--1292",
2100 keywords = "silicon compounds; wide band gap semiconductors; ion
2101 implantation; annealing; X-ray scattering; transmission
2102 electron microscopy",
2103 URL = "http://link.aip.org/link/?JAP/91/1287/1",
2104 doi = "10.1063/1.1428105",
2105 notes = "3c-sic alignement to si host in ibs depending on
2106 temperature, might explain c int to c sub trafo",
2110 author = "G Lucas and M Bertolus and L Pizzagalli",
2111 title = "An environment-dependent interatomic potential for
2112 silicon carbide: calculation of bulk properties,
2113 high-pressure phases, point and extended defects, and
2114 amorphous structures",
2115 journal = "Journal of Physics: Condensed Matter",
2119 URL = "http://stacks.iop.org/0953-8984/22/i=3/a=035802",
2125 author = "J Godet and L Pizzagalli and S Brochard and P
2127 title = "Comparison between classical potentials and ab initio
2128 methods for silicon under large shear",
2129 journal = "Journal of Physics: Condensed Matter",
2133 URL = "http://stacks.iop.org/0953-8984/15/i=41/a=004",
2135 notes = "comparison of empirical potentials, stillinger weber,
2136 edip, tersoff, ab initio",
2139 @Article{moriguchi98,
2140 title = "Verification of Tersoff's Potential for Static
2141 Structural Analysis of Solids of Group-{IV} Elements",
2142 author = "Koji Moriguchi and Akira Shintani",
2143 journal = "Japanese Journal of Applied Physics",
2145 number = "Part 1, No. 2",
2149 URL = "http://jjap.ipap.jp/link?JJAP/37/414/",
2150 doi = "10.1143/JJAP.37.414",
2151 publisher = "The Japan Society of Applied Physics",
2152 notes = "tersoff stringent test",
2155 @Article{holmstroem08,
2156 title = "Threshold defect production in silicon determined by
2157 density functional theory molecular dynamics
2159 author = "E. Holmstr{\"o}m and A. Kuronen and K. Nordlund",
2160 journal = "Phys. Rev. B",
2167 doi = "10.1103/PhysRevB.78.045202",
2168 publisher = "American Physical Society",
2169 notes = "threshold displacement comparison empirical and ab
2173 @Article{nordlund97,
2174 title = "Repulsive interatomic potentials calculated using
2175 Hartree-Fock and density-functional theory methods",
2176 journal = "Nuclear Instruments and Methods in Physics Research
2177 Section B: Beam Interactions with Materials and Atoms",
2184 doi = "DOI: 10.1016/S0168-583X(97)00447-3",
2185 URL = "http://www.sciencedirect.com/science/article/B6TJN-4CP0TGF-91/2/1a9100c0aae82d2d258fc83dfdba23c1",
2186 author = "K. Nordlund and N. Runeberg and D. Sundholm",
2187 notes = "repulsive ab initio potential",
2191 title = "Efficiency of ab-initio total energy calculations for
2192 metals and semiconductors using a plane-wave basis
2194 journal = "Computational Materials Science",
2201 doi = "DOI: 10.1016/0927-0256(96)00008-0",
2202 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74",
2203 author = "G. Kresse and J. Furthm{\"{u}}ller",
2208 title = "Projector augmented-wave method",
2209 author = "P. E. Bl{\"o}chl",
2210 journal = "Phys. Rev. B",
2213 pages = "17953--17979",
2217 doi = "10.1103/PhysRevB.50.17953",
2218 publisher = "American Physical Society",
2219 notes = "paw method",
2223 title = "Norm-Conserving Pseudopotentials",
2224 author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
2225 journal = "Phys. Rev. Lett.",
2228 pages = "1494--1497",
2232 doi = "10.1103/PhysRevLett.43.1494",
2233 publisher = "American Physical Society",
2234 notes = "norm-conserving pseudopotentials",
2237 @Article{vanderbilt90,
2238 title = "Soft self-consistent pseudopotentials in a generalized
2239 eigenvalue formalism",
2240 author = "David Vanderbilt",
2241 journal = "Phys. Rev. B",
2244 pages = "7892--7895",
2248 doi = "10.1103/PhysRevB.41.7892",
2249 publisher = "American Physical Society",
2250 notes = "vasp pseudopotentials",
2254 title = "Accurate and simple density functional for the
2255 electronic exchange energy: Generalized gradient
2257 author = "John P. Perdew and Wang Yue",
2258 journal = "Phys. Rev. B",
2261 pages = "8800--8802",
2265 doi = "10.1103/PhysRevB.33.8800",
2266 publisher = "American Physical Society",
2267 notes = "rapid communication gga",
2271 title = "Generalized gradient approximations for exchange and
2272 correlation: {A} look backward and forward",
2273 journal = "Physica B: Condensed Matter",
2280 doi = "DOI: 10.1016/0921-4526(91)90409-8",
2281 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8GR9-3D/2/18e610a616e4d80b934079c89063ece7",
2282 author = "John P. Perdew",
2283 notes = "gga overview",
2287 title = "Atoms, molecules, solids, and surfaces: Applications
2288 of the generalized gradient approximation for exchange
2290 author = "John P. Perdew and J. A. Chevary and S. H. Vosko and
2291 Koblar A. Jackson and Mark R. Pederson and D. J. Singh
2292 and Carlos Fiolhais",
2293 journal = "Phys. Rev. B",
2296 pages = "6671--6687",
2300 doi = "10.1103/PhysRevB.46.6671",
2301 publisher = "American Physical Society",
2302 notes = "gga pw91 (as in vasp)",
2305 @Article{baldereschi73,
2306 title = "Mean-Value Point in the Brillouin Zone",
2307 author = "A. Baldereschi",
2308 journal = "Phys. Rev. B",
2311 pages = "5212--5215",
2315 doi = "10.1103/PhysRevB.7.5212",
2316 publisher = "American Physical Society",
2317 notes = "mean value k point",
2321 title = "Ab initio pseudopotential calculations of dopant
2323 journal = "Computational Materials Science",
2330 doi = "DOI: 10.1016/S0927-0256(98)00023-8",
2331 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VB7F2K-7/2/aa864582273be8e054300efb7bd16a1b",
2332 author = "Jing Zhu",
2333 keywords = "TED (transient enhanced diffusion)",
2334 keywords = "Boron dopant",
2335 keywords = "Carbon dopant",
2336 keywords = "Defect",
2337 keywords = "ab initio pseudopotential method",
2338 keywords = "Impurity cluster",
2339 notes = "binding of c to si interstitial, c in si defects",
2343 author = "A. Nejim and P. L. F. Hemment and J. Stoemenos",
2345 title = "Si{C} buried layer formation by ion beam synthesis at
2349 journal = "Applied Physics Letters",
2352 pages = "2646--2648",
2353 keywords = "SILICON; ION IMPLANTATION; CARBON IONS; SILICON
2354 CARBIDES; BURIED LAYERS; SYNTHESIS; KEV RANGE 100 --
2355 1000; CRYSTAL DEFECTS; MORPHOLOGY; RBS; TRANSMISSION
2356 ELECTRON MICROSCOPY",
2357 URL = "http://link.aip.org/link/?APL/66/2646/1",
2358 doi = "10.1063/1.113112",
2359 notes = "precipitation mechanism by substitutional carbon, si
2360 self interstitials react with further implanted c",
2364 author = "C. Guedj and M. W. Dashiell and L. Kulik and J.
2365 Kolodzey and A. Hairie",
2367 title = "Precipitation of beta-Si{C} in Si[sub 1 - y]{C}[sub y]
2371 journal = "Journal of Applied Physics",
2374 pages = "4631--4633",
2375 keywords = "silicon compounds; precipitation; localised modes;
2376 semiconductor epitaxial layers; infrared spectra;
2377 Fourier transform spectra; thermal stability;
2379 URL = "http://link.aip.org/link/?JAP/84/4631/1",
2380 doi = "10.1063/1.368703",
2381 notes = "coherent 3C-SiC, topotactic",
2385 author = "R Jones and B J Coomer and P R Briddon",
2386 title = "Quantum mechanical modelling of defects in
2388 journal = "Journal of Physics: Condensed Matter",
2392 URL = "http://stacks.iop.org/0953-8984/16/i=27/a=004",
2394 notes = "ab inito init, vibrational modes, c defect in si",
2398 author = "S. Y. Park and J. D'Arcy-Gall and D. Gall and J. A. N.
2399 T Soares and Y.-W. Kim and H. Kim and P. Desjardins and
2400 J. E. Greene and S. G. Bishop",
2402 title = "Carbon incorporation pathways and lattice sites in
2403 Si[sub 1 - y]{C}[sub y] alloys grown on Si(001) by
2404 molecular-beam epitaxy",
2407 journal = "Journal of Applied Physics",
2410 pages = "5716--5727",
2411 URL = "http://link.aip.org/link/?JAP/91/5716/1",
2412 doi = "10.1063/1.1465122",
2413 notes = "c substitutional incorporation pathway, dft and expt",
2417 title = "Dynamic properties of interstitial carbon and
2418 carbon-carbon pair defects in silicon",
2419 author = "P. Leary and R. Jones and S. {\"O}berg and V. J. B.
2421 journal = "Phys. Rev. B",
2424 pages = "2188--2194",
2428 doi = "10.1103/PhysRevB.55.2188",
2429 publisher = "American Physical Society",
2430 notes = "ab initio c in si and di-carbon defect, no formation
2435 title = "Interstitial carbon and the carbon-carbon pair in
2436 silicon: Semiempirical electronic-structure
2438 author = "Matthew J. Burnard and Gary G. DeLeo",
2439 journal = "Phys. Rev. B",
2442 pages = "10217--10225",
2446 doi = "10.1103/PhysRevB.47.10217",
2447 publisher = "American Physical Society",
2448 notes = "semi empirical mndo, pm3 and mindo3 c in si and di
2449 carbon defect, formation energies",
2453 title = "Review of atomistic simulations of surface diffusion
2454 and growth on semiconductors",
2455 journal = "Computational Materials Science",
2460 note = "Proceedings of the Workshop on Virtual Molecular Beam
2463 doi = "DOI: 10.1016/0927-0256(96)00030-4",
2464 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VSFF1G-7/2/afc8408b00ded1ca2dc3ad1686c2dae6",
2465 author = "Efthimios Kaxiras",
2466 notes = "might contain c 100 db formation energy, overview md,
2467 tight binding, first principles",
2470 @Article{kaukonen98,
2471 title = "Effect of {N} and {B} doping on the growth of {CVD}
2473 $(100):{H}(2\ifmmode\times\else\texttimes\fi{}1)$
2475 author = "M. Kaukonen and P. K. Sitch and G. Jungnickel and R.
2476 M. Nieminen and Sami P{\"o}ykk{\"o} and D. Porezag and
2478 journal = "Phys. Rev. B",
2481 pages = "9965--9970",
2485 doi = "10.1103/PhysRevB.57.9965",
2486 publisher = "American Physical Society",
2487 notes = "constrained conjugate gradient relaxation technique