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. Kögler and F. Eichhorn and J. R. Kaschny and A.
80 Mücklich and H. Reuther and W. Skorupa and C. Serre and
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. Lavéant and G. Gerth and P. Werner and U. Gösele",
700 notes = "low c in si, tensile stress to compensate compressive
701 stress, avoid sic precipitation",
705 author = "P. Werner and S. Eichler and G. Mariani and R.
706 K{\"{o}}gler and W. Skorupa",
707 title = "Investigation of {C}[sub x]Si defects in {C} implanted
708 silicon by transmission electron microscopy",
711 journal = "Applied Physics Letters",
715 keywords = "silicon; ion implantation; carbon; crystal defects;
716 transmission electron microscopy; annealing; positron
717 annihilation; secondary ion mass spectroscopy; buried
718 layers; precipitation",
719 URL = "http://link.aip.org/link/?APL/70/252/1",
720 doi = "10.1063/1.118381",
721 notes = "si-c complexes, agglomerate, sic in si matrix, sic
725 @InProceedings{werner96,
726 author = "P. Werner and R. Koegler and W. Skorupa and D.
728 booktitle = "Ion Implantation Technology. Proceedings of the 11th
729 International Conference on",
730 title = "{TEM} investigation of {C}-Si defects in carbon
737 keywords = "beta;-SiC precipitates;30 s;700 to 1300 C;C
738 atom/radiation induced defect interaction;C depth
739 distribution;C precipitation;C-Si defects;C-Si
740 dimers;CZ Si;HREM;Si:C;TEM;buried layer morphology;high
741 energy ion implantation;ion implantation;metastable
742 agglomerates;microdefects;positron annihilation
743 spectroscopy;rapid thermal annealing;secondary ion mass
744 spectrometry;vacancy clusters;buried
745 layers;carbon;elemental semiconductors;impurity-defect
746 interactions;ion implantation;positron
747 annihilation;precipitation;rapid thermal
748 annealing;secondary ion mass
749 spectra;silicon;transmission electron
750 microscopy;vacancies (crystal);",
751 doi = "10.1109/IIT.1996.586497",
753 notes = "c-si agglomerates dumbbells",
757 author = "J. W. Strane and H. J. Stein and S. R. Lee and S. T.
758 Picraux and J. K. Watanabe and J. W. Mayer",
760 title = "Precipitation and relaxation in strained Si[sub 1 -
761 y]{C}[sub y]/Si heterostructures",
764 journal = "Journal of Applied Physics",
767 pages = "3656--3668",
768 keywords = "SILICON CARBIDES; SILICON; PRECIPITATION; STRAINS",
769 URL = "http://link.aip.org/link/?JAP/76/3656/1",
770 doi = "10.1063/1.357429",
771 notes = "strained si-c to 3c-sic, carbon nucleation + refs",
775 title = "Prospects for device implementation of wide band gap
777 author = "J. H. Edgar",
778 journal = "J. Mater. Res.",
783 doi = "10.1557/JMR.1992.0235",
784 notes = "properties wide band gap semiconductor, sic
788 @Article{zirkelbach2007,
789 title = "Monte Carlo simulation study of a selforganisation
790 process leading to ordered precipitate structures",
791 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
793 journal = "Nucl. Instr. and Meth. B",
800 doi = "doi:10.1016/j.nimb.2006.12.118",
801 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
805 @Article{zirkelbach2006,
806 title = "Monte-Carlo simulation study of the self-organization
807 of nanometric amorphous precipitates in regular arrays
808 during ion irradiation",
809 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
811 journal = "Nucl. Instr. and Meth. B",
818 doi = "doi:10.1016/j.nimb.2005.08.162",
819 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
823 @Article{zirkelbach2005,
824 title = "Modelling of a selforganization process leading to
825 periodic arrays of nanometric amorphous precipitates by
827 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
829 journal = "Comp. Mater. Sci.",
836 doi = "doi:10.1016/j.commatsci.2004.12.016",
837 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
842 title = "Controlling the density distribution of Si{C}
843 nanocrystals for the ion beam synthesis of buried Si{C}
845 journal = "Nuclear Instruments and Methods in Physics Research
846 Section B: Beam Interactions with Materials and Atoms",
853 doi = "DOI: 10.1016/S0168-583X(98)00598-9",
854 URL = "http://www.sciencedirect.com/science/article/B6TJN-3YMWWDY-1H/2/ad53e614f783b2a7474aecb936dd0169",
855 author = "J. K. N. Lindner and B. Stritzker",
856 notes = "two-step implantation process",
859 @Article{lindner99_2,
860 title = "Mechanisms in the ion beam synthesis of Si{C} layers
862 journal = "Nuclear Instruments and Methods in Physics Research
863 Section B: Beam Interactions with Materials and Atoms",
869 doi = "DOI: 10.1016/S0168-583X(98)00787-3",
870 URL = "http://www.sciencedirect.com/science/article/B6TJN-3XGFSSH-3H/2/17d138baa6db68cb279e6de9161e5f85",
871 author = "J. K. N. Lindner and B. Stritzker",
872 notes = "3c-sic precipitation model, c-si dimers (dumbbells)",
876 title = "Ion beam synthesis of buried Si{C} layers in silicon:
877 Basic physical processes",
878 journal = "Nuclear Instruments and Methods in Physics Research
879 Section B: Beam Interactions with Materials and Atoms",
886 doi = "DOI: 10.1016/S0168-583X(01)00504-3",
887 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KG96-8/2/f222574d8945c3fd7aaf9ae1efdd37b3",
888 author = "Jörg K. N. Lindner",
892 title = "High-dose carbon implantations into silicon:
893 fundamental studies for new technological tricks",
894 author = "J. K. N. Lindner",
895 journal = "Appl. Phys. A",
899 doi = "10.1007/s00339-002-2062-8",
900 notes = "ibs, burried sic layers",
904 title = "Ion beam synthesis of 3{C}-Si{C} layers in Si and its
905 application in buffer layer for Ga{N} epitaxial
907 journal = "Applied Surface Science",
912 note = "APHYS'03 Special Issue",
914 doi = "DOI: 10.1016/j.apsusc.2004.05.199",
915 URL = "http://www.sciencedirect.com/science/article/B6THY-4CTTNGX-B/2/d24ee637db87f3f1a6ef7fe6820f267c",
916 author = "Y. Ito and T. Yamauchi and A. Yamamoto and M. Sasase
917 and S. Nishio and K. Yasuda and Y. Ishigami",
918 notes = "gan on 3c-sic",
922 author = "B. J. Alder and T. E. Wainwright",
923 title = "Phase Transition for a Hard Sphere System",
926 journal = "The Journal of Chemical Physics",
929 pages = "1208--1209",
930 URL = "http://link.aip.org/link/?JCP/27/1208/1",
931 doi = "10.1063/1.1743957",
935 author = "B. J. Alder and T. E. Wainwright",
936 title = "Studies in Molecular Dynamics. {I}. General Method",
939 journal = "The Journal of Chemical Physics",
943 URL = "http://link.aip.org/link/?JCP/31/459/1",
944 doi = "10.1063/1.1730376",
947 @Article{tersoff_si1,
948 title = "New empirical model for the structural properties of
950 author = "J. Tersoff",
951 journal = "Phys. Rev. Lett.",
958 doi = "10.1103/PhysRevLett.56.632",
959 publisher = "American Physical Society",
962 @Article{tersoff_si2,
963 title = "New empirical approach for the structure and energy of
965 author = "J. Tersoff",
966 journal = "Phys. Rev. B",
969 pages = "6991--7000",
973 doi = "10.1103/PhysRevB.37.6991",
974 publisher = "American Physical Society",
977 @Article{tersoff_si3,
978 title = "Empirical interatomic potential for silicon with
979 improved elastic properties",
980 author = "J. Tersoff",
981 journal = "Phys. Rev. B",
984 pages = "9902--9905",
988 doi = "10.1103/PhysRevB.38.9902",
989 publisher = "American Physical Society",
993 title = "Empirical Interatomic Potential for Carbon, with
994 Applications to Amorphous Carbon",
995 author = "J. Tersoff",
996 journal = "Phys. Rev. Lett.",
999 pages = "2879--2882",
1003 doi = "10.1103/PhysRevLett.61.2879",
1004 publisher = "American Physical Society",
1008 title = "Modeling solid-state chemistry: Interatomic potentials
1009 for multicomponent systems",
1010 author = "J. Tersoff",
1011 journal = "Phys. Rev. B",
1014 pages = "5566--5568",
1018 doi = "10.1103/PhysRevB.39.5566",
1019 publisher = "American Physical Society",
1023 title = "Carbon defects and defect reactions in silicon",
1024 author = "J. Tersoff",
1025 journal = "Phys. Rev. Lett.",
1028 pages = "1757--1760",
1032 doi = "10.1103/PhysRevLett.64.1757",
1033 publisher = "American Physical Society",
1037 title = "Point defects and dopant diffusion in silicon",
1038 author = "P. M. Fahey and P. B. Griffin and J. D. Plummer",
1039 journal = "Rev. Mod. Phys.",
1046 doi = "10.1103/RevModPhys.61.289",
1047 publisher = "American Physical Society",
1051 title = "Silicon carbide: synthesis and processing",
1052 journal = "Nuclear Instruments and Methods in Physics Research
1053 Section B: Beam Interactions with Materials and Atoms",
1058 note = "Radiation Effects in Insulators",
1060 doi = "DOI: 10.1016/0168-583X(96)00065-1",
1061 URL = "http://www.sciencedirect.com/science/article/B6TJN-3VXHNFT-C7/2/4216cb1ec9e422c22de5fed7360fb06e",
1062 author = "W. Wesch",
1066 author = "H. Morko\c{c} and S. Strite and G. B. Gao and M. E.
1067 Lin and B. Sverdlov and M. Burns",
1069 title = "Large-band-gap Si{C}, {III}-{V} nitride, and {II}-{VI}
1070 ZnSe-based semiconductor device technologies",
1073 journal = "Journal of Applied Physics",
1076 pages = "1363--1398",
1077 keywords = "SEMICONDUCTOR DEVICES; SILICON CARBIDES; GALLIUM
1078 NITRIDES; ZINC SELENIDES; SUBSTRATES; MOS JUNCTIONS;
1079 LASER MATERIALS; MATERIALS; REVIEWS; ENERGY GAP; THIN
1081 URL = "http://link.aip.org/link/?JAP/76/1363/1",
1082 doi = "10.1063/1.358463",
1086 author = "Noch Unbekannt",
1087 title = "How to find references",
1088 journal = "Journal of Applied References",
1095 title = "Atomistic simulation of thermomechanical properties of
1097 author = "Meijie Tang and Sidney Yip",
1098 journal = "Phys. Rev. B",
1101 pages = "15150--15159",
1104 doi = "10.1103/PhysRevB.52.15150",
1105 notes = "modified tersoff, scale cutoff with volume, promising
1106 tersoff reparametrization",
1107 publisher = "American Physical Society",
1111 title = "Silicon carbide as a new {MEMS} technology",
1112 journal = "Sensors and Actuators A: Physical",
1118 doi = "DOI: 10.1016/S0924-4247(99)00335-0",
1119 URL = "http://www.sciencedirect.com/science/article/B6THG-406VM55-13/2/75385a587669b215d9ef88029a93fd59",
1120 author = "Pasqualina M. Sarro",
1122 keywords = "Silicon carbide",
1123 keywords = "Micromachining",
1124 keywords = "Mechanical stress",
1128 title = "Status of silicon carbide (Si{C}) as a wide-bandgap
1129 semiconductor for high-temperature applications: {A}
1131 journal = "Solid-State Electronics",
1134 pages = "1409--1422",
1137 doi = "DOI: 10.1016/0038-1101(96)00045-7",
1138 URL = "http://www.sciencedirect.com/science/article/B6TY5-3VSR9J0-1/2/a871c11636e937dc45bfdf48e29f725b",
1139 author = "J. B. Casady and R. W. Johnson",
1142 @Article{giancarli98,
1143 title = "Design requirements for Si{C}/Si{C} composites
1144 structural material in fusion power reactor blankets",
1145 journal = "Fusion Engineering and Design",
1151 doi = "DOI: 10.1016/S0920-3796(97)00200-7",
1152 URL = "http://www.sciencedirect.com/science/article/B6V3C-3V8RYK8-T/2/16949194114900fd1330f79892d7a7be",
1153 author = "L. Giancarli and J. P. Bonal and A. Caso and G. Le
1154 Marois and N. B. Morley and J. F. Salavy",
1158 title = "Electrical and optical characterization of Si{C}",
1159 journal = "Physica B: Condensed Matter",
1165 doi = "DOI: 10.1016/0921-4526(93)90249-6",
1166 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8HRX-99/2/eab9398bf2bbf10df3ae42c2ab28a776",
1167 author = "G. Pensl and W. J. Choyke",
1171 title = "Investigation of growth processes of ingots of silicon
1172 carbide single crystals",
1173 journal = "Journal of Crystal Growth",
1178 notes = "modifief lely process",
1180 doi = "DOI: 10.1016/0022-0248(78)90169-0",
1181 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BY2NR-7S/2/fa6fee78ebd8322491f6366e72d5b6dc",
1182 author = "Yu. M. Tairov and V. F. Tsvetkov",
1186 author = "Shigehiro Nishino and J. Anthony Powell and Herbert A.
1189 title = "Production of large-area single-crystal wafers of
1190 cubic Si{C} for semiconductor devices",
1193 journal = "Applied Physics Letters",
1197 keywords = "silicon carbides; layers; chemical vapor deposition;
1199 URL = "http://link.aip.org/link/?APL/42/460/1",
1200 doi = "10.1063/1.93970",
1201 notes = "cvd of 3c-sic on si, sic buffer layer",
1205 author = "Shigehiro Nishino and Hajime Suhara and Hideyuki Ono
1206 and Hiroyuki Matsunami",
1208 title = "Epitaxial growth and electric characteristics of cubic
1212 journal = "Journal of Applied Physics",
1215 pages = "4889--4893",
1216 URL = "http://link.aip.org/link/?JAP/61/4889/1",
1217 doi = "10.1063/1.338355",
1218 notes = "cvd of 3c-sic on si, sic buffer layer, first time
1223 author = "J. Anthony Powell and Lawrence G. Matus and Maria A.
1225 title = "Growth and Characterization of Cubic Si{C}
1226 Single-Crystal Films on Si",
1229 journal = "Journal of The Electrochemical Society",
1232 pages = "1558--1565",
1233 keywords = "semiconductor materials; silicon compounds; carbon
1234 compounds; crystal morphology; electron mobility",
1235 URL = "http://link.aip.org/link/?JES/134/1558/1",
1236 doi = "10.1149/1.2100708",
1237 notes = "blue light emitting diodes (led)",
1241 author = "Tsunenobu Kimoto and Hironori Nishino and Woo Sik Yoo
1242 and Hiroyuki Matsunami",
1243 title = "Growth mechanism of 6{H}-Si{C} in step-controlled
1247 journal = "Journal of Applied Physics",
1251 keywords = "SILICON CARBIDES; EPITAXY; GROWTH RATE; TEMPERATURE
1252 RANGE 10004000 K; TWINNING; ACTIVATION ENERGY; CHEMICAL
1254 URL = "http://link.aip.org/link/?JAP/73/726/1",
1255 doi = "10.1063/1.353329",
1256 notes = "cvd of 6h-sic on 6h-sic, twinned 3c-sic",
1260 author = "J. A. Powell and D. J. Larkin and L. G. Matus and W.
1261 J. Choyke and J. L. Bradshaw and L. Henderson and M.
1262 Yoganathan and J. Yang and P. Pirouz",
1264 title = "Growth of improved quality 3{C}-Si{C} films on
1265 6{H}-Si{C} substrates",
1268 journal = "Applied Physics Letters",
1271 pages = "1353--1355",
1272 keywords = "SILICON CARBIDES; CHEMICAL VAPOR DEPOSITION; SORPTIVE
1273 PROPERTIES; PHOTOLUMINESCENCE; TRANSMISSION ELECTRON
1274 MICROSCOPY; DEFECT STRUCTURE; STACKING FAULTS; VAPOR
1276 URL = "http://link.aip.org/link/?APL/56/1353/1",
1277 doi = "10.1063/1.102512",
1278 notes = "cvd of 3c-sic on 6h-sic",
1282 author = "C. Yuan and A. J. Steckl and J. Chaudhuri and R.
1283 Thokala and M. J. Loboda",
1285 title = "Reduced temperature growth of crystalline 3{C}-Si{C}
1286 films on 6{H}-Si{C} by chemical vapor deposition from
1290 journal = "Journal of Applied Physics",
1293 pages = "1271--1273",
1294 keywords = "SILICON CARBIDES; THIN FILMS; CVD; EPITAXY; ABSORPTION
1295 EDGE; CRYSTAL STRUCTURE; STRAINS; DISLOCATIONS; XRD;
1297 URL = "http://link.aip.org/link/?JAP/78/1271/1",
1298 doi = "10.1063/1.360368",
1299 notes = "3c-sic on 6h-sic, cvd, reduced temperature",
1303 title = "Epitaxial growth of Si{C} thin films on Si-stabilized
1304 [alpha]-Si{C}(0001) at low temperatures by solid-source
1305 molecular beam epitaxy",
1306 journal = "Journal of Crystal Growth",
1312 doi = "DOI: 10.1016/0022-0248(95)00170-0",
1313 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3Y5MMXM-1N/2/65549019b878bf02d5ec645b7eea9e98",
1314 author = "A. Fissel and U. Kaiser and E. Ducke and B. Schröter
1316 notes = "solid source mbe of 3c-sic on si and 6h-sic",
1319 @Article{fissel95_apl,
1320 author = "A. Fissel and B. Schr{\"{o}}ter and W. Richter",
1322 title = "Low-temperature growth of Si{C} thin films on Si and
1323 6{H}--Si{C} by solid-source molecular beam epitaxy",
1326 journal = "Applied Physics Letters",
1329 pages = "3182--3184",
1330 keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
1332 URL = "http://link.aip.org/link/?APL/66/3182/1",
1333 doi = "10.1063/1.113716",
1334 notes = "mbe 3c-sic on si and 6h-sic",
1338 author = "J. A. Borders and S. T. Picraux and W. Beezhold",
1340 title = "{FORMATION} {OF} Si{C} {IN} {SILICON} {BY} {ION}
1344 journal = "Applied Physics Letters",
1348 URL = "http://link.aip.org/link/?APL/18/509/1",
1349 doi = "10.1063/1.1653516",
1350 notes = "first time sic by ibs, follow cites for precipitation
1355 author = "K. J. Reeson and P. L. F. Hemment and J. Stoemenos and
1356 J. Davis and G. E. Celler",
1358 title = "Formation of buried layers of beta-Si{C} using ion
1359 beam synthesis and incoherent lamp annealing",
1362 journal = "Applied Physics Letters",
1365 pages = "2242--2244",
1366 keywords = "SILICON CARBIDES; FILM GROWTH; SOLIDPHASE EPITAXY; ION
1367 IMPLANTATION; CARBON IONS; DOPING PROFILES; SYNTHESIS",
1368 URL = "http://link.aip.org/link/?APL/51/2242/1",
1369 doi = "10.1063/1.98953",
1370 notes = "nice tem images, sic by ibs",
1374 author = "R. I. Scace and G. A. Slack",
1376 title = "Solubility of Carbon in Silicon and Germanium",
1379 journal = "The Journal of Chemical Physics",
1382 pages = "1551--1555",
1383 URL = "http://link.aip.org/link/?JCP/30/1551/1",
1384 doi = "10.1063/1.1730236",
1385 notes = "solubility of c in c-si",
1389 author = "N. E. B. Cowern and A. Cacciato and J. S. Custer and
1390 F. W. Saris and W. Vandervorst",
1392 title = "Role of {C} and {B} clusters in transient diffusion of
1396 journal = "Applied Physics Letters",
1399 pages = "1150--1152",
1400 keywords = "ATOMIC CLUSTERS; BORON ADDITIONS; CRYSTAL DOPING;
1401 DIFFUSION; DOPED MATERIALS; IMPURITIES; INTERSTITIALS;
1403 URL = "http://link.aip.org/link/?APL/68/1150/1",
1404 doi = "10.1063/1.115706",
1405 notes = "suppression of transient enhanced diffusion (ted)",
1409 title = "Implantation and transient boron diffusion: the role
1410 of the silicon self-interstitial",
1411 journal = "Nuclear Instruments and Methods in Physics Research
1412 Section B: Beam Interactions with Materials and Atoms",
1417 note = "Selected Papers of the Tenth International Conference
1418 on Ion Implantation Technology (IIT '94)",
1420 doi = "DOI: 10.1016/0168-583X(94)00481-1",
1421 URL = "http://www.sciencedirect.com/science/article/B6TJN-40WKY1P-29/2/602c6e5b809221323d2d2968edd0a71c",
1422 author = "P. A. Stolk and H. -J. Gossmann and D. J. Eaglesham
1427 author = "P. A. Stolk and H.-J. Gossmann and D. J. Eaglesham and
1428 D. C. Jacobson and C. S. Rafferty and G. H. Gilmer and
1429 M. Jara\'{\i}z and J. M. Poate and H. S. Luftman and T.
1432 title = "Physical mechanisms of transient enhanced dopant
1433 diffusion in ion-implanted silicon",
1436 journal = "Journal of Applied Physics",
1439 pages = "6031--6050",
1440 URL = "http://link.aip.org/link/?JAP/81/6031/1",
1441 doi = "10.1063/1.364452",
1442 notes = "ted, transient enhanced diffusion, c silicon trap",
1446 author = "A. R. Powell and F. K. LeGoues and S. S. Iyer",
1448 title = "Formation of beta-Si{C} nanocrystals by the relaxation
1449 of Si[sub 1 - y]{C}[sub y] random alloy layers",
1452 journal = "Applied Physics Letters",
1456 keywords = "SILICON CARBIDES; NANOSTRUCTURES; DISPERSIONS;
1457 EPITAXIAL LAYERS; STRESS RELAXATION; ANNEALING;
1458 TEMPERATURE EFFECTS; PRECIPITATION; DISLOCATIONS;
1460 URL = "http://link.aip.org/link/?APL/64/324/1",
1461 doi = "10.1063/1.111195",
1462 notes = "beta sic nano crystals in si, mbe, annealing",
1466 author = "Richard A. Soref",
1468 title = "Optical band gap of the ternary semiconductor Si[sub 1
1469 - x - y]Ge[sub x]{C}[sub y]",
1472 journal = "Journal of Applied Physics",
1475 pages = "2470--2472",
1476 keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; ENERGY GAP;
1477 OPTICAL PROPERTIES; DIAMONDS; SEMICONDUCTOR ALLOYS;
1479 URL = "http://link.aip.org/link/?JAP/70/2470/1",
1480 doi = "10.1063/1.349403",
1481 notes = "band gap of strained si by c",
1485 author = "E Kasper",
1486 title = "Superlattices of group {IV} elements, a new
1487 possibility to produce direct band gap material",
1488 journal = "Physica Scripta",
1491 URL = "http://stacks.iop.org/1402-4896/T35/232",
1493 notes = "superlattices, convert indirect band gap into a
1498 author = "H. J. Osten and J. Griesche and S. Scalese",
1500 title = "Substitutional carbon incorporation in epitaxial
1501 Si[sub 1 - y]{C}[sub y] alloys on Si(001) grown by
1502 molecular beam epitaxy",
1505 journal = "Applied Physics Letters",
1509 keywords = "molecular beam epitaxial growth; semiconductor growth;
1510 wide band gap semiconductors; interstitials; silicon
1512 URL = "http://link.aip.org/link/?APL/74/836/1",
1513 doi = "10.1063/1.123384",
1514 notes = "substitutional c in si",
1517 @Article{hohenberg64,
1518 title = "Inhomogeneous Electron Gas",
1519 author = "P. Hohenberg and W. Kohn",
1520 journal = "Phys. Rev.",
1523 pages = "B864--B871",
1527 doi = "10.1103/PhysRev.136.B864",
1528 publisher = "American Physical Society",
1529 notes = "density functional theory, dft",
1533 title = "Self-Consistent Equations Including Exchange and
1534 Correlation Effects",
1535 author = "W. Kohn and L. J. Sham",
1536 journal = "Phys. Rev.",
1539 pages = "A1133--A1138",
1543 doi = "10.1103/PhysRev.140.A1133",
1544 publisher = "American Physical Society",
1545 notes = "dft, exchange and correlation",
1549 title = "Strain-stabilized highly concentrated pseudomorphic
1550 $Si1-x$$Cx$ layers in Si",
1551 author = "H. R{\"u}cker and M. Methfessel and E. Bugiel and H.
1553 journal = "Phys. Rev. Lett.",
1556 pages = "3578--3581",
1560 doi = "10.1103/PhysRevLett.72.3578",
1561 publisher = "American Physical Society",
1562 notes = "high c concentration in si, heterostructure, starined
1567 title = "Electron Transport Model for Strained Silicon-Carbon
1569 author = "Shu-Tong Chang and Chung-Yi Lin",
1570 journal = "Japanese Journal of Applied Physics",
1573 pages = "2257--2262",
1576 URL = "http://jjap.ipap.jp/link?JJAP/44/2257/",
1577 doi = "10.1143/JJAP.44.2257",
1578 publisher = "The Japan Society of Applied Physics",
1579 notes = "enhance of electron mobility in starined si",
1583 author = "H. J. Osten and P. Gaworzewski",
1585 title = "Charge transport in strained Si[sub 1 - y]{C}[sub y]
1586 and Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloys on
1590 journal = "Journal of Applied Physics",
1593 pages = "4977--4981",
1594 keywords = "silicon compounds; Ge-Si alloys; wide band gap
1595 semiconductors; semiconductor epitaxial layers; carrier
1596 density; Hall mobility; interstitials; defect states",
1597 URL = "http://link.aip.org/link/?JAP/82/4977/1",
1598 doi = "10.1063/1.366364",
1599 notes = "charge transport in strained si",
1603 title = "Carbon-mediated aggregation of self-interstitials in
1604 silicon: {A} large-scale molecular dynamics study",
1605 author = "Sumeet S. Kapur and Manish Prasad and Talid Sinno",
1606 journal = "Phys. Rev. B",
1613 doi = "10.1103/PhysRevB.69.155214",
1614 publisher = "American Physical Society",
1615 notes = "simulation using promising tersoff reparametrization",
1619 title = "Event-Based Relaxation of Continuous Disordered
1621 author = "G. T. Barkema and Normand Mousseau",
1622 journal = "Phys. Rev. Lett.",
1625 pages = "4358--4361",
1629 doi = "10.1103/PhysRevLett.77.4358",
1630 publisher = "American Physical Society",
1631 notes = "activation relaxation technique, art, speed up slow
1636 author = "E. Canc\`{e}s and F. Legoll and M.-C. Marinica and K.
1637 Minoukadeh and F. Willaime",
1639 title = "Some improvements of the activation-relaxation
1640 technique method for finding transition pathways on
1641 potential energy surfaces",
1644 journal = "The Journal of Chemical Physics",
1650 keywords = "eigenvalues and eigenfunctions; iron; potential energy
1651 surfaces; vacancies (crystal)",
1652 URL = "http://link.aip.org/link/?JCP/130/114711/1",
1653 doi = "10.1063/1.3088532",
1654 notes = "improvements to art, refs for methods to find
1655 transition pathways",
1658 @Article{parrinello81,
1659 author = "M. Parrinello and A. Rahman",
1661 title = "Polymorphic transitions in single crystals: {A} new
1662 molecular dynamics method",
1665 journal = "Journal of Applied Physics",
1668 pages = "7182--7190",
1669 keywords = "MONOCRYSTALS; PHASE TRANSFORMATIONS; STRUCTURAL
1670 MODELS; DYNAMICS; THEORETICAL DATA; STRESSES;
1671 CONFIGURATION; LAGRANGE EQUATIONS; SIZE; NICKEL;
1672 COMPRESSION; TENSILE PROPERTIES; COMPARATIVE
1673 EVALUATIONS; STRAINS; CUBIC LATTICES; HCP LATTICES;
1675 URL = "http://link.aip.org/link/?JAP/52/7182/1",
1676 doi = "10.1063/1.328693",
1679 @Article{stillinger85,
1680 title = "Computer simulation of local order in condensed phases
1682 author = "Frank H. Stillinger and Thomas A. Weber",
1683 journal = "Phys. Rev. B",
1686 pages = "5262--5271",
1690 doi = "10.1103/PhysRevB.31.5262",
1691 publisher = "American Physical Society",
1695 title = "Empirical potential for hydrocarbons for use in
1696 simulating the chemical vapor deposition of diamond
1698 author = "Donald W. Brenner",
1699 journal = "Phys. Rev. B",
1702 pages = "9458--9471",
1706 doi = "10.1103/PhysRevB.42.9458",
1707 publisher = "American Physical Society",
1708 notes = "brenner hydro carbons",
1712 title = "Modeling of Covalent Bonding in Solids by Inversion of
1713 Cohesive Energy Curves",
1714 author = "Martin Z. Bazant and Efthimios Kaxiras",
1715 journal = "Phys. Rev. Lett.",
1718 pages = "4370--4373",
1722 doi = "10.1103/PhysRevLett.77.4370",
1723 publisher = "American Physical Society",
1724 notes = "first si edip",
1728 title = "Environment-dependent interatomic potential for bulk
1730 author = "Martin Z. Bazant and Efthimios Kaxiras and J. F.
1732 journal = "Phys. Rev. B",
1735 pages = "8542--8552",
1739 doi = "10.1103/PhysRevB.56.8542",
1740 publisher = "American Physical Society",
1741 notes = "second si edip",
1745 title = "Interatomic potential for silicon defects and
1747 author = "Jo\~ao F. Justo and Martin Z. Bazant and Efthimios
1748 Kaxiras and V. V. Bulatov and Sidney Yip",
1749 journal = "Phys. Rev. B",
1752 pages = "2539--2550",
1756 doi = "10.1103/PhysRevB.58.2539",
1757 publisher = "American Physical Society",
1758 notes = "latest si edip, good dislocation explanation",
1762 title = "{PARCAS} molecular dynamics code",
1763 author = "K. Nordlund",
1768 title = "Hyperdynamics: Accelerated Molecular Dynamics of
1770 author = "Arthur F. Voter",
1771 journal = "Phys. Rev. Lett.",
1774 pages = "3908--3911",
1778 doi = "10.1103/PhysRevLett.78.3908",
1779 publisher = "American Physical Society",
1780 notes = "hyperdynamics, accelerated md",
1784 author = "Arthur F. Voter",
1786 title = "A method for accelerating the molecular dynamics
1787 simulation of infrequent events",
1790 journal = "The Journal of Chemical Physics",
1793 pages = "4665--4677",
1794 keywords = "COMPUTERIZED SIMULATION; NICKEL; DIFFUSION; ATOM
1795 TRANSPORT; MOLECULAR ORBITAL METHOD; POTENTIAL ENERGY;
1796 SURFACE POTENTIAL; MOLECULAR DYNAMICS METHOD; potential
1797 energy functions; surface diffusion; reaction kinetics
1798 theory; potential energy surfaces",
1799 URL = "http://link.aip.org/link/?JCP/106/4665/1",
1800 doi = "10.1063/1.473503",
1801 notes = "improved hyperdynamics md",
1804 @Article{sorensen2000,
1805 author = "Mads R. S\o rensen and Arthur F. Voter",
1807 title = "Temperature-accelerated dynamics for simulation of
1811 journal = "The Journal of Chemical Physics",
1814 pages = "9599--9606",
1815 keywords = "SOLID STATE PHYSICS; SIMULATION; DIFFUSION; SURFACES;
1816 MOLECULAR DYNAMICS METHOD; surface diffusion",
1817 URL = "http://link.aip.org/link/?JCP/112/9599/1",
1818 doi = "10.1063/1.481576",
1819 notes = "temperature accelerated dynamics, tad",
1823 title = "Parallel replica method for dynamics of infrequent
1825 author = "Arthur F. Voter",
1826 journal = "Phys. Rev. B",
1829 pages = "R13985--R13988",
1833 doi = "10.1103/PhysRevB.57.R13985",
1834 publisher = "American Physical Society",
1835 notes = "parallel replica method, accelerated md",
1839 author = "Xiongwu Wu and Shaomeng Wang",
1841 title = "Enhancing systematic motion in molecular dynamics
1845 journal = "The Journal of Chemical Physics",
1848 pages = "9401--9410",
1849 keywords = "molecular dynamics method; argon; Lennard-Jones
1850 potential; crystallisation; liquid theory",
1851 URL = "http://link.aip.org/link/?JCP/110/9401/1",
1852 doi = "10.1063/1.478948",
1853 notes = "self guided md, sgmd, accelerated md, enhancing
1857 @Article{choudhary05,
1858 author = "Devashish Choudhary and Paulette Clancy",
1860 title = "Application of accelerated molecular dynamics schemes
1861 to the production of amorphous silicon",
1864 journal = "The Journal of Chemical Physics",
1870 keywords = "molecular dynamics method; silicon; glass structure;
1871 amorphous semiconductors",
1872 URL = "http://link.aip.org/link/?JCP/122/154509/1",
1873 doi = "10.1063/1.1878733",
1874 notes = "explanation of sgmd and hyper md, applied to amorphous
1879 author = "W. J. Taylor and T. Y. Tan and U. G{\"{o}}sele",
1881 title = "Carbon precipitation in silicon: Why is it so
1885 journal = "Applied Physics Letters",
1888 pages = "3336--3338",
1889 keywords = "SILICON; CARBON ADDITIONS; OXYGEN ADDITIONS; DOPED
1890 MATERIALS; PRECIPITATION; THERMODYNAMICS; SURFACE
1892 URL = "http://link.aip.org/link/?APL/62/3336/1",
1893 doi = "10.1063/1.109063",
1894 notes = "interfacial energy of cubic sic and si",
1897 @Article{chaussende08,
1898 title = "Prospects for 3{C}-Si{C} bulk crystal growth",
1899 journal = "Journal of Crystal Growth",
1904 note = "Proceedings of the E-MRS Conference, Symposium G -
1905 Substrates of Wide Bandgap Materials",
1907 doi = "DOI: 10.1016/j.jcrysgro.2007.11.140",
1908 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4R7J67S-F/2/e92fc194b652409f5b119393d608b082",
1909 author = "D. Chaussende and F. Mercier and A. Boulle and F.
1910 Conchon and M. Soueidan and G. Ferro and A. Mantzari
1911 and A. Andreadou and E. K. Polychroniadis and C.
1912 Balloud and S. Juillaguet and J. Camassel and M. Pons",
1913 notes = "3c-sic crystal growth, sic fabrication + links,
1918 title = "Forces in Molecules",
1919 author = "R. P. Feynman",
1920 journal = "Phys. Rev.",
1927 doi = "10.1103/PhysRev.56.340",
1928 publisher = "American Physical Society",
1929 notes = "hellmann feynman forces",
1933 title = "Bonding Arrangements at the $Si-Si{O}_{2}$ and
1934 $Si{C}-Si{O}_{2}$ Interfaces and a Possible Origin of
1935 their Contrasting Properties",
1936 author = "Ryszard Buczko and Stephen J. Pennycook and Sokrates
1938 journal = "Phys. Rev. Lett.",
1945 doi = "10.1103/PhysRevLett.84.943",
1946 publisher = "American Physical Society",
1947 notes = "si sio2 and sic sio2 interface",
1950 @Article{djurabekova08,
1951 title = "Atomistic simulation of the interface structure of Si
1952 nanocrystals embedded in amorphous silica",
1953 author = "Flyura Djurabekova and Kai Nordlund",
1954 journal = "Phys. Rev. B",
1961 doi = "10.1103/PhysRevB.77.115325",
1962 publisher = "American Physical Society",
1963 notes = "nc-si in sio2, interface energy, nc construction,
1964 angular distribution, coordination",
1968 author = "C. Wen and Y. M. Wang and W. Wan and F. H. Li and J.
1969 W. Liang and J. Zou",
1971 title = "Nature of interfacial defects and their roles in
1972 strain relaxation at highly lattice mismatched
1973 3{C}-Si{C}/Si (001) interface",
1976 journal = "Journal of Applied Physics",
1982 keywords = "anelastic relaxation; crystal structure; dislocations;
1983 elemental semiconductors; semiconductor growth;
1984 semiconductor thin films; silicon; silicon compounds;
1985 stacking faults; wide band gap semiconductors",
1986 URL = "http://link.aip.org/link/?JAP/106/073522/1",
1987 doi = "10.1063/1.3234380",
1988 notes = "sic/si interface, follow refs, tem image
1989 deconvolution, dislocation defects",
1992 @Article{kitabatake93,
1993 author = "Makoto Kitabatake and Masahiro Deguchi and Takashi
1996 title = "Simulations and experiments of Si{C} heteroepitaxial
1997 growth on Si(001) surface",
2000 journal = "Journal of Applied Physics",
2003 pages = "4438--4445",
2004 keywords = "SILICON CARBIDES; FILM GROWTH; SIMULATION; MOLECULAR
2005 BEAM EPITAXY; MOLECULAR DYNAMICS CALCULATIONS; SILICON;
2006 MICROSTRUCTURE; ULTRAVIOLET RADIATION; IRRADIATION",
2007 URL = "http://link.aip.org/link/?JAP/74/4438/1",
2008 doi = "10.1063/1.354385",
2009 notes = "mbe and md of sic growth on si, 4 to 5 shrinkage
2013 @Article{pizzagalli03,
2014 title = "Theoretical investigations of a highly mismatched
2015 interface: Si{C}/Si(001)",
2016 author = "Laurent Pizzagalli and Giancarlo Cicero and Alessandra
2018 journal = "Phys. Rev. B",
2025 doi = "10.1103/PhysRevB.68.195302",
2026 publisher = "American Physical Society",
2027 notes = "tersoff md and ab initio sic/si interface study",
2031 title = "Atomic configurations of dislocation core and twin
2032 boundaries in $ 3{C}-Si{C} $ studied by high-resolution
2033 electron microscopy",
2034 author = "C. Y. Tang and F. H. Li and R. Wang and J. Zou and X.
2035 H. Zheng and J. W. Liang",
2036 journal = "Phys. Rev. B",
2043 doi = "10.1103/PhysRevB.75.184103",
2044 publisher = "American Physical Society",
2045 notes = "hrem image deconvolution on 3c-sic on si, distinguish
2049 @Article{hornstra58,
2050 title = "Dislocations in the diamond lattice",
2051 journal = "Journal of Physics and Chemistry of Solids",
2058 doi = "DOI: 10.1016/0022-3697(58)90138-0",
2059 URL = "http://www.sciencedirect.com/science/article/B6TXR-46MMPHJ-10D/2/7176c01c29cd4e73faa26ab2aacdcea5",
2060 author = "J. Hornstra",
2061 notes = "dislocations in diamond lattice",
2064 @Article{eichhorn99,
2065 author = "F. Eichhorn and N. Schell and W. Matz and R.
2068 title = "Strain and Si{C} particle formation in silicon
2069 implanted with carbon ions of medium fluence studied by
2070 synchrotron x-ray diffraction",
2073 journal = "Journal of Applied Physics",
2076 pages = "4184--4187",
2077 keywords = "silicon; carbon; elemental semiconductors; chemical
2078 interdiffusion; ion implantation; X-ray diffraction;
2079 precipitation; semiconductor doping",
2080 URL = "http://link.aip.org/link/?JAP/86/4184/1",
2081 doi = "10.1063/1.371344",
2082 notes = "sic conversion by ibs, detected substitutional
2086 @Article{eichhorn02,
2087 author = "F. Eichhorn and N. Schell and A. M{\"{u}}cklich and H.
2088 Metzger and W. Matz and R. K{\"{o}}gler",
2090 title = "Structural relation between Si and Si{C} formed by
2091 carbon ion implantation",
2094 journal = "Journal of Applied Physics",
2097 pages = "1287--1292",
2098 keywords = "silicon compounds; wide band gap semiconductors; ion
2099 implantation; annealing; X-ray scattering; transmission
2100 electron microscopy",
2101 URL = "http://link.aip.org/link/?JAP/91/1287/1",
2102 doi = "10.1063/1.1428105",
2103 notes = "3c-sic alignement to si host in ibs depending on
2104 temperature, might explain c int to c sub trafo",
2108 author = "G Lucas and M Bertolus and L Pizzagalli",
2109 title = "An environment-dependent interatomic potential for
2110 silicon carbide: calculation of bulk properties,
2111 high-pressure phases, point and extended defects, and
2112 amorphous structures",
2113 journal = "Journal of Physics: Condensed Matter",
2117 URL = "http://stacks.iop.org/0953-8984/22/i=3/a=035802",
2123 author = "J Godet and L Pizzagalli and S Brochard and P
2125 title = "Comparison between classical potentials and ab initio
2126 methods for silicon under large shear",
2127 journal = "Journal of Physics: Condensed Matter",
2131 URL = "http://stacks.iop.org/0953-8984/15/i=41/a=004",
2133 notes = "comparison of empirical potentials, stillinger weber,
2134 edip, tersoff, ab initio",
2137 @Article{moriguchi98,
2138 title = "Verification of Tersoff's Potential for Static
2139 Structural Analysis of Solids of Group-{IV} Elements",
2140 author = "Koji Moriguchi and Akira Shintani",
2141 journal = "Japanese Journal of Applied Physics",
2143 number = "Part 1, No. 2",
2147 URL = "http://jjap.ipap.jp/link?JJAP/37/414/",
2148 doi = "10.1143/JJAP.37.414",
2149 publisher = "The Japan Society of Applied Physics",
2150 notes = "tersoff stringent test",
2153 @Article{holmstroem08,
2154 title = "Threshold defect production in silicon determined by
2155 density functional theory molecular dynamics
2157 author = "E. Holmstr{\"o}m and A. Kuronen and K. Nordlund",
2158 journal = "Phys. Rev. B",
2165 doi = "10.1103/PhysRevB.78.045202",
2166 publisher = "American Physical Society",
2167 notes = "threshold displacement comparison empirical and ab
2171 @Article{nordlund97,
2172 title = "Repulsive interatomic potentials calculated using
2173 Hartree-Fock and density-functional theory methods",
2174 journal = "Nuclear Instruments and Methods in Physics Research
2175 Section B: Beam Interactions with Materials and Atoms",
2182 doi = "DOI: 10.1016/S0168-583X(97)00447-3",
2183 URL = "http://www.sciencedirect.com/science/article/B6TJN-4CP0TGF-91/2/1a9100c0aae82d2d258fc83dfdba23c1",
2184 author = "K. Nordlund and N. Runeberg and D. Sundholm",
2185 notes = "repulsive ab initio potential",
2189 title = "Efficiency of ab-initio total energy calculations for
2190 metals and semiconductors using a plane-wave basis
2192 journal = "Computational Materials Science",
2199 doi = "DOI: 10.1016/0927-0256(96)00008-0",
2200 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74",
2201 author = "G. Kresse and J. Furthmüller",
2206 title = "Projector augmented-wave method",
2207 author = "P. E. Bl{\"o}chl",
2208 journal = "Phys. Rev. B",
2211 pages = "17953--17979",
2215 doi = "10.1103/PhysRevB.50.17953",
2216 publisher = "American Physical Society",
2217 notes = "paw method",
2221 title = "Norm-Conserving Pseudopotentials",
2222 author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
2223 journal = "Phys. Rev. Lett.",
2226 pages = "1494--1497",
2230 doi = "10.1103/PhysRevLett.43.1494",
2231 publisher = "American Physical Society",
2232 notes = "norm-conserving pseudopotentials",
2235 @Article{vanderbilt90,
2236 title = "Soft self-consistent pseudopotentials in a generalized
2237 eigenvalue formalism",
2238 author = "David Vanderbilt",
2239 journal = "Phys. Rev. B",
2242 pages = "7892--7895",
2246 doi = "10.1103/PhysRevB.41.7892",
2247 publisher = "American Physical Society",
2248 notes = "vasp pseudopotentials",
2252 title = "Accurate and simple density functional for the
2253 electronic exchange energy: Generalized gradient
2255 author = "John P. Perdew and Wang Yue",
2256 journal = "Phys. Rev. B",
2259 pages = "8800--8802",
2263 doi = "10.1103/PhysRevB.33.8800",
2264 publisher = "American Physical Society",
2265 notes = "rapid communication gga",
2269 title = "Generalized gradient approximations for exchange and
2270 correlation: {A} look backward and forward",
2271 journal = "Physica B: Condensed Matter",
2278 doi = "DOI: 10.1016/0921-4526(91)90409-8",
2279 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8GR9-3D/2/18e610a616e4d80b934079c89063ece7",
2280 author = "John P. Perdew",
2281 notes = "gga overview",
2285 title = "Atoms, molecules, solids, and surfaces: Applications
2286 of the generalized gradient approximation for exchange
2288 author = "John P. Perdew and J. A. Chevary and S. H. Vosko and
2289 Koblar A. Jackson and Mark R. Pederson and D. J. Singh
2290 and Carlos Fiolhais",
2291 journal = "Phys. Rev. B",
2294 pages = "6671--6687",
2298 doi = "10.1103/PhysRevB.46.6671",
2299 publisher = "American Physical Society",
2300 notes = "gga pw91 (as in vasp)",
2303 @Article{baldereschi73,
2304 title = "Mean-Value Point in the Brillouin Zone",
2305 author = "A. Baldereschi",
2306 journal = "Phys. Rev. B",
2309 pages = "5212--5215",
2313 doi = "10.1103/PhysRevB.7.5212",
2314 publisher = "American Physical Society",
2315 notes = "mean value k point",
2319 title = "Ab initio pseudopotential calculations of dopant
2321 journal = "Computational Materials Science",
2328 doi = "DOI: 10.1016/S0927-0256(98)00023-8",
2329 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VB7F2K-7/2/aa864582273be8e054300efb7bd16a1b",
2330 author = "Jing Zhu",
2331 keywords = "TED (transient enhanced diffusion)",
2332 keywords = "Boron dopant",
2333 keywords = "Carbon dopant",
2334 keywords = "Defect",
2335 keywords = "ab initio pseudopotential method",
2336 keywords = "Impurity cluster",
2337 notes = "binding of c to si interstitial, c in si defects",
2341 author = "A. Nejim and P. L. F. Hemment and J. Stoemenos",
2343 title = "Si{C} buried layer formation by ion beam synthesis at
2347 journal = "Applied Physics Letters",
2350 pages = "2646--2648",
2351 keywords = "SILICON; ION IMPLANTATION; CARBON IONS; SILICON
2352 CARBIDES; BURIED LAYERS; SYNTHESIS; KEV RANGE 100 --
2353 1000; CRYSTAL DEFECTS; MORPHOLOGY; RBS; TRANSMISSION
2354 ELECTRON MICROSCOPY",
2355 URL = "http://link.aip.org/link/?APL/66/2646/1",
2356 doi = "10.1063/1.113112",
2357 notes = "precipitation mechanism by substitutional carbon, si
2358 self interstitials react with further implanted c",
2362 author = "C. Guedj and M. W. Dashiell and L. Kulik and J.
2363 Kolodzey and A. Hairie",
2365 title = "Precipitation of beta-Si{C} in Si[sub 1 - y]{C}[sub y]
2369 journal = "Journal of Applied Physics",
2372 pages = "4631--4633",
2373 keywords = "silicon compounds; precipitation; localised modes;
2374 semiconductor epitaxial layers; infrared spectra;
2375 Fourier transform spectra; thermal stability;
2377 URL = "http://link.aip.org/link/?JAP/84/4631/1",
2378 doi = "10.1063/1.368703",
2379 notes = "coherent 3C-SiC, topotactic",
2383 author = "R Jones and B J Coomer and P R Briddon",
2384 title = "Quantum mechanical modelling of defects in
2386 journal = "Journal of Physics: Condensed Matter",
2390 URL = "http://stacks.iop.org/0953-8984/16/i=27/a=004",
2392 notes = "ab inito init, vibrational modes, c defect in si",
2396 author = "S. Y. Park and J. D'Arcy-Gall and D. Gall and J. A. N.
2397 T Soares and Y.-W. Kim and H. Kim and P. Desjardins and
2398 J. E. Greene and S. G. Bishop",
2400 title = "Carbon incorporation pathways and lattice sites in
2401 Si[sub 1 - y]{C}[sub y] alloys grown on Si(001) by
2402 molecular-beam epitaxy",
2405 journal = "Journal of Applied Physics",
2408 pages = "5716--5727",
2409 URL = "http://link.aip.org/link/?JAP/91/5716/1",
2410 doi = "10.1063/1.1465122",
2411 notes = "c substitutional incorporation pathway, dft and expt",
2415 title = "Dynamic properties of interstitial carbon and
2416 carbon-carbon pair defects in silicon",
2417 author = "P. Leary and R. Jones and S. {\"O}berg and V. J. B.
2419 journal = "Phys. Rev. B",
2422 pages = "2188--2194",
2426 doi = "10.1103/PhysRevB.55.2188",
2427 publisher = "American Physical Society",
2428 notes = "ab initio c in si and di-carbon defect, no formation
2433 title = "Interstitial carbon and the carbon-carbon pair in
2434 silicon: Semiempirical electronic-structure
2436 author = "Matthew J. Burnard and Gary G. DeLeo",
2437 journal = "Phys. Rev. B",
2440 pages = "10217--10225",
2444 doi = "10.1103/PhysRevB.47.10217",
2445 publisher = "American Physical Society",
2446 notes = "semi empirical mndo, pm3 and mindo3 c in si and di
2447 carbon defect, formation energies",
2451 title = "Review of atomistic simulations of surface diffusion
2452 and growth on semiconductors",
2453 journal = "Computational Materials Science",
2458 note = "Proceedings of the Workshop on Virtual Molecular Beam
2461 doi = "DOI: 10.1016/0927-0256(96)00030-4",
2462 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VSFF1G-7/2/afc8408b00ded1ca2dc3ad1686c2dae6",
2463 author = "Efthimios Kaxiras",
2464 notes = "might contain c 100 db formation energy",
2467 @Article{kaukonen98,
2468 title = {Effect of N and B doping on the growth of CVD diamond $(100):H(2\ifmmode\times\else\texttimes\fi{}1)$ surfaces},
2469 author = {Kaukonen, M. and Sitch, P. K. and Jungnickel, G. and Nieminen, R. M. and P\"oykk\"o, Sami and Porezag, D. and Frauenheim, Th. },
2470 journal = {Phys. Rev. B},
2473 pages = {9965--9970},
2477 doi = {10.1103/PhysRevB.57.9965},
2478 publisher = {American Physical Society},
2479 notes = "constrained conjugate gradient relaxation technique (crt)"