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 author = "P. Laveant and G. Gerth and P. Werner and U.
693 journal = "Materials Science and Engineering B",
697 keywords = "Growth; Epitaxy; MBE; Carbon; Silicon",
698 notes = "low c in si, tensile stress to compensate compressive
699 stress, avoid sic precipitation",
703 author = "P. Werner and S. Eichler and G. Mariani and R.
704 K{\"{o}}gler and W. Skorupa",
705 title = "Investigation of {C}[sub x]Si defects in {C} implanted
706 silicon by transmission electron microscopy",
709 journal = "Applied Physics Letters",
713 keywords = "silicon; ion implantation; carbon; crystal defects;
714 transmission electron microscopy; annealing; positron
715 annihilation; secondary ion mass spectroscopy; buried
716 layers; precipitation",
717 URL = "http://link.aip.org/link/?APL/70/252/1",
718 doi = "10.1063/1.118381",
719 notes = "si-c complexes, agglomerate, sic in si matrix, sic
723 @InProceedings{werner96,
724 author = "P. Werner and R. Koegler and W. Skorupa and D.
726 booktitle = "Ion Implantation Technology. Proceedings of the 11th
727 International Conference on",
728 title = "{TEM} investigation of {C}-Si defects in carbon
735 keywords = "beta;-SiC precipitates;30 s;700 to 1300 C;C
736 atom/radiation induced defect interaction;C depth
737 distribution;C precipitation;C-Si defects;C-Si
738 dimers;CZ Si;HREM;Si:C;TEM;buried layer morphology;high
739 energy ion implantation;ion implantation;metastable
740 agglomerates;microdefects;positron annihilation
741 spectroscopy;rapid thermal annealing;secondary ion mass
742 spectrometry;vacancy clusters;buried
743 layers;carbon;elemental semiconductors;impurity-defect
744 interactions;ion implantation;positron
745 annihilation;precipitation;rapid thermal
746 annealing;secondary ion mass
747 spectra;silicon;transmission electron
748 microscopy;vacancies (crystal);",
749 doi = "10.1109/IIT.1996.586497",
751 notes = "c-si agglomerates dumbbells",
755 author = "J. W. Strane and H. J. Stein and S. R. Lee and S. T.
756 Picraux and J. K. Watanabe and J. W. Mayer",
758 title = "Precipitation and relaxation in strained Si[sub 1 -
759 y]{C}[sub y]/Si heterostructures",
762 journal = "Journal of Applied Physics",
765 pages = "3656--3668",
766 keywords = "SILICON CARBIDES; SILICON; PRECIPITATION; STRAINS",
767 URL = "http://link.aip.org/link/?JAP/76/3656/1",
768 doi = "10.1063/1.357429",
769 notes = "strained si-c to 3c-sic, carbon nucleation + refs",
773 title = "Prospects for device implementation of wide band gap
775 author = "J. H. Edgar",
776 journal = "J. Mater. Res.",
781 doi = "10.1557/JMR.1992.0235",
782 notes = "properties wide band gap semiconductor, sic
786 @Article{zirkelbach2007,
787 title = "Monte Carlo simulation study of a selforganisation
788 process leading to ordered precipitate structures",
789 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
791 journal = "Nucl. Instr. and Meth. B",
798 doi = "doi:10.1016/j.nimb.2006.12.118",
799 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
803 @Article{zirkelbach2006,
804 title = "Monte-Carlo simulation study of the self-organization
805 of nanometric amorphous precipitates in regular arrays
806 during ion irradiation",
807 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
809 journal = "Nucl. Instr. and Meth. B",
816 doi = "doi:10.1016/j.nimb.2005.08.162",
817 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
821 @Article{zirkelbach2005,
822 title = "Modelling of a selforganization process leading to
823 periodic arrays of nanometric amorphous precipitates by
825 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
827 journal = "Comp. Mater. Sci.",
834 doi = "doi:10.1016/j.commatsci.2004.12.016",
835 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
840 title = "Controlling the density distribution of Si{C}
841 nanocrystals for the ion beam synthesis of buried Si{C}
843 journal = "Nuclear Instruments and Methods in Physics Research
844 Section B: Beam Interactions with Materials and Atoms",
851 doi = "DOI: 10.1016/S0168-583X(98)00598-9",
852 URL = "http://www.sciencedirect.com/science/article/B6TJN-3YMWWDY-1H/2/ad53e614f783b2a7474aecb936dd0169",
853 author = "J. K. N. Lindner and B. Stritzker",
854 notes = "two-step implantation process",
857 @Article{lindner99_2,
858 title = "Mechanisms in the ion beam synthesis of Si{C} layers
860 journal = "Nuclear Instruments and Methods in Physics Research
861 Section B: Beam Interactions with Materials and Atoms",
867 doi = "DOI: 10.1016/S0168-583X(98)00787-3",
868 URL = "http://www.sciencedirect.com/science/article/B6TJN-3XGFSSH-3H/2/17d138baa6db68cb279e6de9161e5f85",
869 author = "J. K. N. Lindner and B. Stritzker",
870 notes = "3c-sic precipitation model, c-si dimers (dumbbells)",
874 title = "Ion beam synthesis of buried Si{C} layers in silicon:
875 Basic physical processes",
876 journal = "Nuclear Instruments and Methods in Physics Research
877 Section B: Beam Interactions with Materials and Atoms",
884 doi = "DOI: 10.1016/S0168-583X(01)00504-3",
885 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KG96-8/2/f222574d8945c3fd7aaf9ae1efdd37b3",
886 author = "Jörg K. N. Lindner",
890 title = "High-dose carbon implantations into silicon:
891 fundamental studies for new technological tricks",
892 author = "J. K. N. Lindner",
893 journal = "Appl. Phys. A",
897 doi = "10.1007/s00339-002-2062-8",
898 notes = "ibs, burried sic layers",
902 title = "Ion beam synthesis of 3{C}-Si{C} layers in Si and its
903 application in buffer layer for Ga{N} epitaxial
905 journal = "Applied Surface Science",
910 note = "APHYS'03 Special Issue",
912 doi = "DOI: 10.1016/j.apsusc.2004.05.199",
913 URL = "http://www.sciencedirect.com/science/article/B6THY-4CTTNGX-B/2/d24ee637db87f3f1a6ef7fe6820f267c",
914 author = "Y. Ito and T. Yamauchi and A. Yamamoto and M. Sasase
915 and S. Nishio and K. Yasuda and Y. Ishigami",
916 notes = "gan on 3c-sic",
920 author = "B. J. Alder and T. E. Wainwright",
921 title = "Phase Transition for a Hard Sphere System",
924 journal = "The Journal of Chemical Physics",
927 pages = "1208--1209",
928 URL = "http://link.aip.org/link/?JCP/27/1208/1",
929 doi = "10.1063/1.1743957",
933 author = "B. J. Alder and T. E. Wainwright",
934 title = "Studies in Molecular Dynamics. {I}. General Method",
937 journal = "The Journal of Chemical Physics",
941 URL = "http://link.aip.org/link/?JCP/31/459/1",
942 doi = "10.1063/1.1730376",
945 @Article{tersoff_si1,
946 title = "New empirical model for the structural properties of
948 author = "J. Tersoff",
949 journal = "Phys. Rev. Lett.",
956 doi = "10.1103/PhysRevLett.56.632",
957 publisher = "American Physical Society",
960 @Article{tersoff_si2,
961 title = "New empirical approach for the structure and energy of
963 author = "J. Tersoff",
964 journal = "Phys. Rev. B",
967 pages = "6991--7000",
971 doi = "10.1103/PhysRevB.37.6991",
972 publisher = "American Physical Society",
975 @Article{tersoff_si3,
976 title = "Empirical interatomic potential for silicon with
977 improved elastic properties",
978 author = "J. Tersoff",
979 journal = "Phys. Rev. B",
982 pages = "9902--9905",
986 doi = "10.1103/PhysRevB.38.9902",
987 publisher = "American Physical Society",
991 title = "Empirical Interatomic Potential for Carbon, with
992 Applications to Amorphous Carbon",
993 author = "J. Tersoff",
994 journal = "Phys. Rev. Lett.",
997 pages = "2879--2882",
1001 doi = "10.1103/PhysRevLett.61.2879",
1002 publisher = "American Physical Society",
1006 title = "Modeling solid-state chemistry: Interatomic potentials
1007 for multicomponent systems",
1008 author = "J. Tersoff",
1009 journal = "Phys. Rev. B",
1012 pages = "5566--5568",
1016 doi = "10.1103/PhysRevB.39.5566",
1017 publisher = "American Physical Society",
1021 title = "Carbon defects and defect reactions in silicon",
1022 author = "J. Tersoff",
1023 journal = "Phys. Rev. Lett.",
1026 pages = "1757--1760",
1030 doi = "10.1103/PhysRevLett.64.1757",
1031 publisher = "American Physical Society",
1035 title = "Point defects and dopant diffusion in silicon",
1036 author = "P. M. Fahey and P. B. Griffin and J. D. Plummer",
1037 journal = "Rev. Mod. Phys.",
1044 doi = "10.1103/RevModPhys.61.289",
1045 publisher = "American Physical Society",
1049 title = "Silicon carbide: synthesis and processing",
1050 journal = "Nuclear Instruments and Methods in Physics Research
1051 Section B: Beam Interactions with Materials and Atoms",
1056 note = "Radiation Effects in Insulators",
1058 doi = "DOI: 10.1016/0168-583X(96)00065-1",
1059 URL = "http://www.sciencedirect.com/science/article/B6TJN-3VXHNFT-C7/2/4216cb1ec9e422c22de5fed7360fb06e",
1060 author = "W. Wesch",
1064 author = "H. Morko\c{c} and S. Strite and G. B. Gao and M. E.
1065 Lin and B. Sverdlov and M. Burns",
1067 title = "Large-band-gap Si{C}, {III}-{V} nitride, and {II}-{VI}
1068 ZnSe-based semiconductor device technologies",
1071 journal = "Journal of Applied Physics",
1074 pages = "1363--1398",
1075 keywords = "SEMICONDUCTOR DEVICES; SILICON CARBIDES; GALLIUM
1076 NITRIDES; ZINC SELENIDES; SUBSTRATES; MOS JUNCTIONS;
1077 LASER MATERIALS; MATERIALS; REVIEWS; ENERGY GAP; THIN
1079 URL = "http://link.aip.org/link/?JAP/76/1363/1",
1080 doi = "10.1063/1.358463",
1084 author = "Noch Unbekannt",
1085 title = "How to find references",
1086 journal = "Journal of Applied References",
1093 title = "Atomistic simulation of thermomechanical properties of
1095 author = "Meijie Tang and Sidney Yip",
1096 journal = "Phys. Rev. B",
1099 pages = "15150--15159",
1102 doi = "10.1103/PhysRevB.52.15150",
1103 notes = "modified tersoff, scale cutoff with volume, promising
1104 tersoff reparametrization",
1105 publisher = "American Physical Society",
1109 title = "Silicon carbide as a new {MEMS} technology",
1110 journal = "Sensors and Actuators A: Physical",
1116 doi = "DOI: 10.1016/S0924-4247(99)00335-0",
1117 URL = "http://www.sciencedirect.com/science/article/B6THG-406VM55-13/2/75385a587669b215d9ef88029a93fd59",
1118 author = "Pasqualina M. Sarro",
1120 keywords = "Silicon carbide",
1121 keywords = "Micromachining",
1122 keywords = "Mechanical stress",
1126 title = "Status of silicon carbide (Si{C}) as a wide-bandgap
1127 semiconductor for high-temperature applications: {A}
1129 journal = "Solid-State Electronics",
1132 pages = "1409--1422",
1135 doi = "DOI: 10.1016/0038-1101(96)00045-7",
1136 URL = "http://www.sciencedirect.com/science/article/B6TY5-3VSR9J0-1/2/a871c11636e937dc45bfdf48e29f725b",
1137 author = "J. B. Casady and R. W. Johnson",
1140 @Article{giancarli98,
1141 title = "Design requirements for Si{C}/Si{C} composites
1142 structural material in fusion power reactor blankets",
1143 journal = "Fusion Engineering and Design",
1149 doi = "DOI: 10.1016/S0920-3796(97)00200-7",
1150 URL = "http://www.sciencedirect.com/science/article/B6V3C-3V8RYK8-T/2/16949194114900fd1330f79892d7a7be",
1151 author = "L. Giancarli and J. P. Bonal and A. Caso and G. Le
1152 Marois and N. B. Morley and J. F. Salavy",
1156 title = "Electrical and optical characterization of Si{C}",
1157 journal = "Physica B: Condensed Matter",
1163 doi = "DOI: 10.1016/0921-4526(93)90249-6",
1164 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8HRX-99/2/eab9398bf2bbf10df3ae42c2ab28a776",
1165 author = "G. Pensl and W. J. Choyke",
1169 title = "Investigation of growth processes of ingots of silicon
1170 carbide single crystals",
1171 journal = "Journal of Crystal Growth",
1176 notes = "modifief lely process",
1178 doi = "DOI: 10.1016/0022-0248(78)90169-0",
1179 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BY2NR-7S/2/fa6fee78ebd8322491f6366e72d5b6dc",
1180 author = "Yu. M. Tairov and V. F. Tsvetkov",
1184 author = "Shigehiro Nishino and J. Anthony Powell and Herbert A.
1187 title = "Production of large-area single-crystal wafers of
1188 cubic Si{C} for semiconductor devices",
1191 journal = "Applied Physics Letters",
1195 keywords = "silicon carbides; layers; chemical vapor deposition;
1197 URL = "http://link.aip.org/link/?APL/42/460/1",
1198 doi = "10.1063/1.93970",
1199 notes = "cvd of 3c-sic on si, sic buffer layer",
1203 author = "Shigehiro Nishino and Hajime Suhara and Hideyuki Ono
1204 and Hiroyuki Matsunami",
1206 title = "Epitaxial growth and electric characteristics of cubic
1210 journal = "Journal of Applied Physics",
1213 pages = "4889--4893",
1214 URL = "http://link.aip.org/link/?JAP/61/4889/1",
1215 doi = "10.1063/1.338355",
1216 notes = "cvd of 3c-sic on si, sic buffer layer, first time
1221 author = "J. Anthony Powell and Lawrence G. Matus and Maria A.
1223 title = "Growth and Characterization of Cubic Si{C}
1224 Single-Crystal Films on Si",
1227 journal = "Journal of The Electrochemical Society",
1230 pages = "1558--1565",
1231 keywords = "semiconductor materials; silicon compounds; carbon
1232 compounds; crystal morphology; electron mobility",
1233 URL = "http://link.aip.org/link/?JES/134/1558/1",
1234 doi = "10.1149/1.2100708",
1235 notes = "blue light emitting diodes (led)",
1239 author = "Tsunenobu Kimoto and Hironori Nishino and Woo Sik Yoo
1240 and Hiroyuki Matsunami",
1241 title = "Growth mechanism of 6{H}-Si{C} in step-controlled
1245 journal = "Journal of Applied Physics",
1249 keywords = "SILICON CARBIDES; EPITAXY; GROWTH RATE; TEMPERATURE
1250 RANGE 10004000 K; TWINNING; ACTIVATION ENERGY; CHEMICAL
1252 URL = "http://link.aip.org/link/?JAP/73/726/1",
1253 doi = "10.1063/1.353329",
1254 notes = "cvd of 6h-sic on 6h-sic, twinned 3c-sic",
1258 author = "J. A. Powell and D. J. Larkin and L. G. Matus and W.
1259 J. Choyke and J. L. Bradshaw and L. Henderson and M.
1260 Yoganathan and J. Yang and P. Pirouz",
1262 title = "Growth of improved quality 3{C}-Si{C} films on
1263 6{H}-Si{C} substrates",
1266 journal = "Applied Physics Letters",
1269 pages = "1353--1355",
1270 keywords = "SILICON CARBIDES; CHEMICAL VAPOR DEPOSITION; SORPTIVE
1271 PROPERTIES; PHOTOLUMINESCENCE; TRANSMISSION ELECTRON
1272 MICROSCOPY; DEFECT STRUCTURE; STACKING FAULTS; VAPOR
1274 URL = "http://link.aip.org/link/?APL/56/1353/1",
1275 doi = "10.1063/1.102512",
1276 notes = "cvd of 3c-sic on 6h-sic",
1280 author = "C. Yuan and A. J. Steckl and J. Chaudhuri and R.
1281 Thokala and M. J. Loboda",
1283 title = "Reduced temperature growth of crystalline 3{C}-Si{C}
1284 films on 6{H}-Si{C} by chemical vapor deposition from
1288 journal = "Journal of Applied Physics",
1291 pages = "1271--1273",
1292 keywords = "SILICON CARBIDES; THIN FILMS; CVD; EPITAXY; ABSORPTION
1293 EDGE; CRYSTAL STRUCTURE; STRAINS; DISLOCATIONS; XRD;
1295 URL = "http://link.aip.org/link/?JAP/78/1271/1",
1296 doi = "10.1063/1.360368",
1297 notes = "3c-sic on 6h-sic, cvd, reduced temperature",
1301 title = "Epitaxial growth of Si{C} thin films on Si-stabilized
1302 [alpha]-Si{C}(0001) at low temperatures by solid-source
1303 molecular beam epitaxy",
1304 journal = "Journal of Crystal Growth",
1310 doi = "DOI: 10.1016/0022-0248(95)00170-0",
1311 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3Y5MMXM-1N/2/65549019b878bf02d5ec645b7eea9e98",
1312 author = "A. Fissel and U. Kaiser and E. Ducke and B. Schröter
1314 notes = "solid source mbe of 3c-sic on si and 6h-sic",
1317 @Article{fissel95_apl,
1318 author = "A. Fissel and B. Schr{\"{o}}ter and W. Richter",
1320 title = "Low-temperature growth of Si{C} thin films on Si and
1321 6{H}--Si{C} by solid-source molecular beam epitaxy",
1324 journal = "Applied Physics Letters",
1327 pages = "3182--3184",
1328 keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
1330 URL = "http://link.aip.org/link/?APL/66/3182/1",
1331 doi = "10.1063/1.113716",
1332 notes = "mbe 3c-sic on si and 6h-sic",
1336 author = "J. A. Borders and S. T. Picraux and W. Beezhold",
1338 title = "{FORMATION} {OF} Si{C} {IN} {SILICON} {BY} {ION}
1342 journal = "Applied Physics Letters",
1346 URL = "http://link.aip.org/link/?APL/18/509/1",
1347 doi = "10.1063/1.1653516",
1348 notes = "first time sic by ibs, follow cites for precipitation
1353 author = "K. J. Reeson and P. L. F. Hemment and J. Stoemenos and
1354 J. Davis and G. E. Celler",
1356 title = "Formation of buried layers of beta-Si{C} using ion
1357 beam synthesis and incoherent lamp annealing",
1360 journal = "Applied Physics Letters",
1363 pages = "2242--2244",
1364 keywords = "SILICON CARBIDES; FILM GROWTH; SOLIDPHASE EPITAXY; ION
1365 IMPLANTATION; CARBON IONS; DOPING PROFILES; SYNTHESIS",
1366 URL = "http://link.aip.org/link/?APL/51/2242/1",
1367 doi = "10.1063/1.98953",
1368 notes = "nice tem images, sic by ibs",
1372 author = "R. I. Scace and G. A. Slack",
1374 title = "Solubility of Carbon in Silicon and Germanium",
1377 journal = "The Journal of Chemical Physics",
1380 pages = "1551--1555",
1381 URL = "http://link.aip.org/link/?JCP/30/1551/1",
1382 doi = "10.1063/1.1730236",
1383 notes = "solubility of c in c-si",
1387 author = "N. E. B. Cowern and A. Cacciato and J. S. Custer and
1388 F. W. Saris and W. Vandervorst",
1390 title = "Role of {C} and {B} clusters in transient diffusion of
1394 journal = "Applied Physics Letters",
1397 pages = "1150--1152",
1398 keywords = "ATOMIC CLUSTERS; BORON ADDITIONS; CRYSTAL DOPING;
1399 DIFFUSION; DOPED MATERIALS; IMPURITIES; INTERSTITIALS;
1401 URL = "http://link.aip.org/link/?APL/68/1150/1",
1402 doi = "10.1063/1.115706",
1403 notes = "suppression of transient enhanced diffusion (ted)",
1407 title = "Implantation and transient boron diffusion: the role
1408 of the silicon self-interstitial",
1409 journal = "Nuclear Instruments and Methods in Physics Research
1410 Section B: Beam Interactions with Materials and Atoms",
1415 note = "Selected Papers of the Tenth International Conference
1416 on Ion Implantation Technology (IIT '94)",
1418 doi = "DOI: 10.1016/0168-583X(94)00481-1",
1419 URL = "http://www.sciencedirect.com/science/article/B6TJN-40WKY1P-29/2/602c6e5b809221323d2d2968edd0a71c",
1420 author = "P. A. Stolk and H. -J. Gossmann and D. J. Eaglesham
1425 author = "P. A. Stolk and H.-J. Gossmann and D. J. Eaglesham and
1426 D. C. Jacobson and C. S. Rafferty and G. H. Gilmer and
1427 M. Jara\'{\i}z and J. M. Poate and H. S. Luftman and T.
1430 title = "Physical mechanisms of transient enhanced dopant
1431 diffusion in ion-implanted silicon",
1434 journal = "Journal of Applied Physics",
1437 pages = "6031--6050",
1438 URL = "http://link.aip.org/link/?JAP/81/6031/1",
1439 doi = "10.1063/1.364452",
1440 notes = "ted, transient enhanced diffusion, c silicon trap",
1444 author = "A. R. Powell and F. K. LeGoues and S. S. Iyer",
1446 title = "Formation of beta-Si{C} nanocrystals by the relaxation
1447 of Si[sub 1 - y]{C}[sub y] random alloy layers",
1450 journal = "Applied Physics Letters",
1454 keywords = "SILICON CARBIDES; NANOSTRUCTURES; DISPERSIONS;
1455 EPITAXIAL LAYERS; STRESS RELAXATION; ANNEALING;
1456 TEMPERATURE EFFECTS; PRECIPITATION; DISLOCATIONS;
1458 URL = "http://link.aip.org/link/?APL/64/324/1",
1459 doi = "10.1063/1.111195",
1460 notes = "beta sic nano crystals in si, mbe, annealing",
1464 author = "Richard A. Soref",
1466 title = "Optical band gap of the ternary semiconductor Si[sub 1
1467 - x - y]Ge[sub x]{C}[sub y]",
1470 journal = "Journal of Applied Physics",
1473 pages = "2470--2472",
1474 keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; ENERGY GAP;
1475 OPTICAL PROPERTIES; DIAMONDS; SEMICONDUCTOR ALLOYS;
1477 URL = "http://link.aip.org/link/?JAP/70/2470/1",
1478 doi = "10.1063/1.349403",
1479 notes = "band gap of strained si by c",
1483 author = "E Kasper",
1484 title = "Superlattices of group {IV} elements, a new
1485 possibility to produce direct band gap material",
1486 journal = "Physica Scripta",
1489 URL = "http://stacks.iop.org/1402-4896/T35/232",
1491 notes = "superlattices, convert indirect band gap into a
1496 author = "H. J. Osten and J. Griesche and S. Scalese",
1498 title = "Substitutional carbon incorporation in epitaxial
1499 Si[sub 1 - y]{C}[sub y] alloys on Si(001) grown by
1500 molecular beam epitaxy",
1503 journal = "Applied Physics Letters",
1507 keywords = "molecular beam epitaxial growth; semiconductor growth;
1508 wide band gap semiconductors; interstitials; silicon
1510 URL = "http://link.aip.org/link/?APL/74/836/1",
1511 doi = "10.1063/1.123384",
1512 notes = "substitutional c in si",
1515 @Article{hohenberg64,
1516 title = "Inhomogeneous Electron Gas",
1517 author = "P. Hohenberg and W. Kohn",
1518 journal = "Phys. Rev.",
1521 pages = "B864--B871",
1525 doi = "10.1103/PhysRev.136.B864",
1526 publisher = "American Physical Society",
1527 notes = "density functional theory, dft",
1531 title = "Self-Consistent Equations Including Exchange and
1532 Correlation Effects",
1533 author = "W. Kohn and L. J. Sham",
1534 journal = "Phys. Rev.",
1537 pages = "A1133--A1138",
1541 doi = "10.1103/PhysRev.140.A1133",
1542 publisher = "American Physical Society",
1543 notes = "dft, exchange and correlation",
1547 title = "Strain-stabilized highly concentrated pseudomorphic
1548 $Si1-x$$Cx$ layers in Si",
1549 author = "H. R{\"u}cker and M. Methfessel and E. Bugiel and H.
1551 journal = "Phys. Rev. Lett.",
1554 pages = "3578--3581",
1558 doi = "10.1103/PhysRevLett.72.3578",
1559 publisher = "American Physical Society",
1560 notes = "high c concentration in si, heterostructure, starined
1565 title = "Electron Transport Model for Strained Silicon-Carbon
1567 author = "Shu-Tong Chang and Chung-Yi Lin",
1568 journal = "Japanese Journal of Applied Physics",
1571 pages = "2257--2262",
1574 URL = "http://jjap.ipap.jp/link?JJAP/44/2257/",
1575 doi = "10.1143/JJAP.44.2257",
1576 publisher = "The Japan Society of Applied Physics",
1577 notes = "enhance of electron mobility in starined si",
1581 author = "H. J. Osten and P. Gaworzewski",
1583 title = "Charge transport in strained Si[sub 1 - y]{C}[sub y]
1584 and Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloys on
1588 journal = "Journal of Applied Physics",
1591 pages = "4977--4981",
1592 keywords = "silicon compounds; Ge-Si alloys; wide band gap
1593 semiconductors; semiconductor epitaxial layers; carrier
1594 density; Hall mobility; interstitials; defect states",
1595 URL = "http://link.aip.org/link/?JAP/82/4977/1",
1596 doi = "10.1063/1.366364",
1597 notes = "charge transport in strained si",
1601 title = "Carbon-mediated aggregation of self-interstitials in
1602 silicon: {A} large-scale molecular dynamics study",
1603 author = "Sumeet S. Kapur and Manish Prasad and Talid Sinno",
1604 journal = "Phys. Rev. B",
1611 doi = "10.1103/PhysRevB.69.155214",
1612 publisher = "American Physical Society",
1613 notes = "simulation using promising tersoff reparametrization",
1617 title = "Event-Based Relaxation of Continuous Disordered
1619 author = "G. T. Barkema and Normand Mousseau",
1620 journal = "Phys. Rev. Lett.",
1623 pages = "4358--4361",
1627 doi = "10.1103/PhysRevLett.77.4358",
1628 publisher = "American Physical Society",
1629 notes = "activation relaxation technique, art, speed up slow
1634 author = "E. Canc\`{e}s and F. Legoll and M.-C. Marinica and K.
1635 Minoukadeh and F. Willaime",
1637 title = "Some improvements of the activation-relaxation
1638 technique method for finding transition pathways on
1639 potential energy surfaces",
1642 journal = "The Journal of Chemical Physics",
1648 keywords = "eigenvalues and eigenfunctions; iron; potential energy
1649 surfaces; vacancies (crystal)",
1650 URL = "http://link.aip.org/link/?JCP/130/114711/1",
1651 doi = "10.1063/1.3088532",
1652 notes = "improvements to art, refs for methods to find
1653 transition pathways",
1656 @Article{parrinello81,
1657 author = "M. Parrinello and A. Rahman",
1659 title = "Polymorphic transitions in single crystals: {A} new
1660 molecular dynamics method",
1663 journal = "Journal of Applied Physics",
1666 pages = "7182--7190",
1667 keywords = "MONOCRYSTALS; PHASE TRANSFORMATIONS; STRUCTURAL
1668 MODELS; DYNAMICS; THEORETICAL DATA; STRESSES;
1669 CONFIGURATION; LAGRANGE EQUATIONS; SIZE; NICKEL;
1670 COMPRESSION; TENSILE PROPERTIES; COMPARATIVE
1671 EVALUATIONS; STRAINS; CUBIC LATTICES; HCP LATTICES;
1673 URL = "http://link.aip.org/link/?JAP/52/7182/1",
1674 doi = "10.1063/1.328693",
1677 @Article{stillinger85,
1678 title = "Computer simulation of local order in condensed phases
1680 author = "Frank H. Stillinger and Thomas A. Weber",
1681 journal = "Phys. Rev. B",
1684 pages = "5262--5271",
1688 doi = "10.1103/PhysRevB.31.5262",
1689 publisher = "American Physical Society",
1693 title = "Empirical potential for hydrocarbons for use in
1694 simulating the chemical vapor deposition of diamond
1696 author = "Donald W. Brenner",
1697 journal = "Phys. Rev. B",
1700 pages = "9458--9471",
1704 doi = "10.1103/PhysRevB.42.9458",
1705 publisher = "American Physical Society",
1706 notes = "brenner hydro carbons",
1710 title = "Modeling of Covalent Bonding in Solids by Inversion of
1711 Cohesive Energy Curves",
1712 author = "Martin Z. Bazant and Efthimios Kaxiras",
1713 journal = "Phys. Rev. Lett.",
1716 pages = "4370--4373",
1720 doi = "10.1103/PhysRevLett.77.4370",
1721 publisher = "American Physical Society",
1722 notes = "first si edip",
1726 title = "Environment-dependent interatomic potential for bulk
1728 author = "Martin Z. Bazant and Efthimios Kaxiras and J. F.
1730 journal = "Phys. Rev. B",
1733 pages = "8542--8552",
1737 doi = "10.1103/PhysRevB.56.8542",
1738 publisher = "American Physical Society",
1739 notes = "second si edip",
1743 title = "Interatomic potential for silicon defects and
1745 author = "Jo\~ao F. Justo and Martin Z. Bazant and Efthimios
1746 Kaxiras and V. V. Bulatov and Sidney Yip",
1747 journal = "Phys. Rev. B",
1750 pages = "2539--2550",
1754 doi = "10.1103/PhysRevB.58.2539",
1755 publisher = "American Physical Society",
1756 notes = "latest si edip, good dislocation explanation",
1760 title = "{PARCAS} molecular dynamics code",
1761 author = "K. Nordlund",
1766 title = "Hyperdynamics: Accelerated Molecular Dynamics of
1768 author = "Arthur F. Voter",
1769 journal = "Phys. Rev. Lett.",
1772 pages = "3908--3911",
1776 doi = "10.1103/PhysRevLett.78.3908",
1777 publisher = "American Physical Society",
1778 notes = "hyperdynamics, accelerated md",
1782 author = "Arthur F. Voter",
1784 title = "A method for accelerating the molecular dynamics
1785 simulation of infrequent events",
1788 journal = "The Journal of Chemical Physics",
1791 pages = "4665--4677",
1792 keywords = "COMPUTERIZED SIMULATION; NICKEL; DIFFUSION; ATOM
1793 TRANSPORT; MOLECULAR ORBITAL METHOD; POTENTIAL ENERGY;
1794 SURFACE POTENTIAL; MOLECULAR DYNAMICS METHOD; potential
1795 energy functions; surface diffusion; reaction kinetics
1796 theory; potential energy surfaces",
1797 URL = "http://link.aip.org/link/?JCP/106/4665/1",
1798 doi = "10.1063/1.473503",
1799 notes = "improved hyperdynamics md",
1802 @Article{sorensen2000,
1803 author = "Mads R. S\o rensen and Arthur F. Voter",
1805 title = "Temperature-accelerated dynamics for simulation of
1809 journal = "The Journal of Chemical Physics",
1812 pages = "9599--9606",
1813 keywords = "SOLID STATE PHYSICS; SIMULATION; DIFFUSION; SURFACES;
1814 MOLECULAR DYNAMICS METHOD; surface diffusion",
1815 URL = "http://link.aip.org/link/?JCP/112/9599/1",
1816 doi = "10.1063/1.481576",
1817 notes = "temperature accelerated dynamics, tad",
1821 title = "Parallel replica method for dynamics of infrequent
1823 author = "Arthur F. Voter",
1824 journal = "Phys. Rev. B",
1827 pages = "R13985--R13988",
1831 doi = "10.1103/PhysRevB.57.R13985",
1832 publisher = "American Physical Society",
1833 notes = "parallel replica method, accelerated md",
1837 author = "Xiongwu Wu and Shaomeng Wang",
1839 title = "Enhancing systematic motion in molecular dynamics
1843 journal = "The Journal of Chemical Physics",
1846 pages = "9401--9410",
1847 keywords = "molecular dynamics method; argon; Lennard-Jones
1848 potential; crystallisation; liquid theory",
1849 URL = "http://link.aip.org/link/?JCP/110/9401/1",
1850 doi = "10.1063/1.478948",
1851 notes = "self guided md, sgmd, accelerated md, enhancing
1855 @Article{choudhary05,
1856 author = "Devashish Choudhary and Paulette Clancy",
1858 title = "Application of accelerated molecular dynamics schemes
1859 to the production of amorphous silicon",
1862 journal = "The Journal of Chemical Physics",
1868 keywords = "molecular dynamics method; silicon; glass structure;
1869 amorphous semiconductors",
1870 URL = "http://link.aip.org/link/?JCP/122/154509/1",
1871 doi = "10.1063/1.1878733",
1872 notes = "explanation of sgmd and hyper md, applied to amorphous
1877 author = "W. J. Taylor and T. Y. Tan and U. G{\"{o}}sele",
1879 title = "Carbon precipitation in silicon: Why is it so
1883 journal = "Applied Physics Letters",
1886 pages = "3336--3338",
1887 keywords = "SILICON; CARBON ADDITIONS; OXYGEN ADDITIONS; DOPED
1888 MATERIALS; PRECIPITATION; THERMODYNAMICS; SURFACE
1890 URL = "http://link.aip.org/link/?APL/62/3336/1",
1891 doi = "10.1063/1.109063",
1892 notes = "interfacial energy of cubic sic and si",
1895 @Article{chaussende08,
1896 title = "Prospects for 3{C}-Si{C} bulk crystal growth",
1897 journal = "Journal of Crystal Growth",
1902 note = "Proceedings of the E-MRS Conference, Symposium G -
1903 Substrates of Wide Bandgap Materials",
1905 doi = "DOI: 10.1016/j.jcrysgro.2007.11.140",
1906 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4R7J67S-F/2/e92fc194b652409f5b119393d608b082",
1907 author = "D. Chaussende and F. Mercier and A. Boulle and F.
1908 Conchon and M. Soueidan and G. Ferro and A. Mantzari
1909 and A. Andreadou and E. K. Polychroniadis and C.
1910 Balloud and S. Juillaguet and J. Camassel and M. Pons",
1911 notes = "3c-sic crystal growth, sic fabrication + links,
1916 title = "Forces in Molecules",
1917 author = "R. P. Feynman",
1918 journal = "Phys. Rev.",
1925 doi = "10.1103/PhysRev.56.340",
1926 publisher = "American Physical Society",
1927 notes = "hellmann feynman forces",
1931 title = "Bonding Arrangements at the $Si-Si{O}_{2}$ and
1932 $Si{C}-Si{O}_{2}$ Interfaces and a Possible Origin of
1933 their Contrasting Properties",
1934 author = "Ryszard Buczko and Stephen J. Pennycook and Sokrates
1936 journal = "Phys. Rev. Lett.",
1943 doi = "10.1103/PhysRevLett.84.943",
1944 publisher = "American Physical Society",
1945 notes = "si sio2 and sic sio2 interface",
1948 @Article{djurabekova08,
1949 title = "Atomistic simulation of the interface structure of Si
1950 nanocrystals embedded in amorphous silica",
1951 author = "Flyura Djurabekova and Kai Nordlund",
1952 journal = "Phys. Rev. B",
1959 doi = "10.1103/PhysRevB.77.115325",
1960 publisher = "American Physical Society",
1961 notes = "nc-si in sio2, interface energy, nc construction,
1962 angular distribution, coordination",
1966 author = "C. Wen and Y. M. Wang and W. Wan and F. H. Li and J.
1967 W. Liang and J. Zou",
1969 title = "Nature of interfacial defects and their roles in
1970 strain relaxation at highly lattice mismatched
1971 3{C}-Si{C}/Si (001) interface",
1974 journal = "Journal of Applied Physics",
1980 keywords = "anelastic relaxation; crystal structure; dislocations;
1981 elemental semiconductors; semiconductor growth;
1982 semiconductor thin films; silicon; silicon compounds;
1983 stacking faults; wide band gap semiconductors",
1984 URL = "http://link.aip.org/link/?JAP/106/073522/1",
1985 doi = "10.1063/1.3234380",
1986 notes = "sic/si interface, follow refs, tem image
1987 deconvolution, dislocation defects",
1990 @Article{kitabatake93,
1991 author = "Makoto Kitabatake and Masahiro Deguchi and Takashi
1994 title = "Simulations and experiments of Si{C} heteroepitaxial
1995 growth on Si(001) surface",
1998 journal = "Journal of Applied Physics",
2001 pages = "4438--4445",
2002 keywords = "SILICON CARBIDES; FILM GROWTH; SIMULATION; MOLECULAR
2003 BEAM EPITAXY; MOLECULAR DYNAMICS CALCULATIONS; SILICON;
2004 MICROSTRUCTURE; ULTRAVIOLET RADIATION; IRRADIATION",
2005 URL = "http://link.aip.org/link/?JAP/74/4438/1",
2006 doi = "10.1063/1.354385",
2007 notes = "mbe and md of sic growth on si, 4 to 5 shrinkage
2011 @Article{pizzagalli03,
2012 title = "Theoretical investigations of a highly mismatched
2013 interface: Si{C}/Si(001)",
2014 author = "Laurent Pizzagalli and Giancarlo Cicero and Alessandra
2016 journal = "Phys. Rev. B",
2023 doi = "10.1103/PhysRevB.68.195302",
2024 publisher = "American Physical Society",
2025 notes = "tersoff md and ab initio sic/si interface study",
2029 title = "Atomic configurations of dislocation core and twin
2030 boundaries in $ 3{C}-Si{C} $ studied by high-resolution
2031 electron microscopy",
2032 author = "C. Y. Tang and F. H. Li and R. Wang and J. Zou and X.
2033 H. Zheng and J. W. Liang",
2034 journal = "Phys. Rev. B",
2041 doi = "10.1103/PhysRevB.75.184103",
2042 publisher = "American Physical Society",
2043 notes = "hrem image deconvolution on 3c-sic on si, distinguish
2047 @Article{hornstra58,
2048 title = "Dislocations in the diamond lattice",
2049 journal = "Journal of Physics and Chemistry of Solids",
2056 doi = "DOI: 10.1016/0022-3697(58)90138-0",
2057 URL = "http://www.sciencedirect.com/science/article/B6TXR-46MMPHJ-10D/2/7176c01c29cd4e73faa26ab2aacdcea5",
2058 author = "J. Hornstra",
2059 notes = "dislocations in diamond lattice",
2062 @Article{eichhorn99,
2063 author = "F. Eichhorn and N. Schell and W. Matz and R.
2066 title = "Strain and Si{C} particle formation in silicon
2067 implanted with carbon ions of medium fluence studied by
2068 synchrotron x-ray diffraction",
2071 journal = "Journal of Applied Physics",
2074 pages = "4184--4187",
2075 keywords = "silicon; carbon; elemental semiconductors; chemical
2076 interdiffusion; ion implantation; X-ray diffraction;
2077 precipitation; semiconductor doping",
2078 URL = "http://link.aip.org/link/?JAP/86/4184/1",
2079 doi = "10.1063/1.371344",
2080 notes = "sic conversion by ibs, detected substitutional
2084 @Article{eichhorn02,
2085 author = "F. Eichhorn and N. Schell and A. M{\"{u}}cklich and H.
2086 Metzger and W. Matz and R. K{\"{o}}gler",
2088 title = "Structural relation between Si and Si{C} formed by
2089 carbon ion implantation",
2092 journal = "Journal of Applied Physics",
2095 pages = "1287--1292",
2096 keywords = "silicon compounds; wide band gap semiconductors; ion
2097 implantation; annealing; X-ray scattering; transmission
2098 electron microscopy",
2099 URL = "http://link.aip.org/link/?JAP/91/1287/1",
2100 doi = "10.1063/1.1428105",
2101 notes = "3c-sic alignement to si host in ibs depending on
2102 temperature, might explain c int to c sub trafo",
2106 author = "G Lucas and M Bertolus and L Pizzagalli",
2107 title = "An environment-dependent interatomic potential for
2108 silicon carbide: calculation of bulk properties,
2109 high-pressure phases, point and extended defects, and
2110 amorphous structures",
2111 journal = "Journal of Physics: Condensed Matter",
2115 URL = "http://stacks.iop.org/0953-8984/22/i=3/a=035802",
2121 author = "J Godet and L Pizzagalli and S Brochard and P
2123 title = "Comparison between classical potentials and ab initio
2124 methods for silicon under large shear",
2125 journal = "Journal of Physics: Condensed Matter",
2129 URL = "http://stacks.iop.org/0953-8984/15/i=41/a=004",
2131 notes = "comparison of empirical potentials, stillinger weber,
2132 edip, tersoff, ab initio",
2135 @Article{moriguchi98,
2136 title = "Verification of Tersoff's Potential for Static
2137 Structural Analysis of Solids of Group-{IV} Elements",
2138 author = "Koji Moriguchi and Akira Shintani",
2139 journal = "Japanese Journal of Applied Physics",
2141 number = "Part 1, No. 2",
2145 URL = "http://jjap.ipap.jp/link?JJAP/37/414/",
2146 doi = "10.1143/JJAP.37.414",
2147 publisher = "The Japan Society of Applied Physics",
2148 notes = "tersoff stringent test",
2151 @Article{holmstroem08,
2152 title = "Threshold defect production in silicon determined by
2153 density functional theory molecular dynamics
2155 author = "E. Holmstr{\"o}m and A. Kuronen and K. Nordlund",
2156 journal = "Phys. Rev. B",
2163 doi = "10.1103/PhysRevB.78.045202",
2164 publisher = "American Physical Society",
2165 notes = "threshold displacement comparison empirical and ab
2169 @Article{nordlund97,
2170 title = "Repulsive interatomic potentials calculated using
2171 Hartree-Fock and density-functional theory methods",
2172 journal = "Nuclear Instruments and Methods in Physics Research
2173 Section B: Beam Interactions with Materials and Atoms",
2180 doi = "DOI: 10.1016/S0168-583X(97)00447-3",
2181 URL = "http://www.sciencedirect.com/science/article/B6TJN-4CP0TGF-91/2/1a9100c0aae82d2d258fc83dfdba23c1",
2182 author = "K. Nordlund and N. Runeberg and D. Sundholm",
2183 notes = "repulsive ab initio potential",
2187 title = "Efficiency of ab-initio total energy calculations for
2188 metals and semiconductors using a plane-wave basis
2190 journal = "Computational Materials Science",
2197 doi = "DOI: 10.1016/0927-0256(96)00008-0",
2198 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74",
2199 author = "G. Kresse and J. Furthmüller",
2204 title = "Projector augmented-wave method",
2205 author = "P. E. Bl{\"o}chl",
2206 journal = "Phys. Rev. B",
2209 pages = "17953--17979",
2213 doi = "10.1103/PhysRevB.50.17953",
2214 publisher = "American Physical Society",
2215 notes = "paw method",
2219 title = "Norm-Conserving Pseudopotentials",
2220 author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
2221 journal = "Phys. Rev. Lett.",
2224 pages = "1494--1497",
2228 doi = "10.1103/PhysRevLett.43.1494",
2229 publisher = "American Physical Society",
2230 notes = "norm-conserving pseudopotentials",
2233 @Article{vanderbilt90,
2234 title = "Soft self-consistent pseudopotentials in a generalized
2235 eigenvalue formalism",
2236 author = "David Vanderbilt",
2237 journal = "Phys. Rev. B",
2240 pages = "7892--7895",
2244 doi = "10.1103/PhysRevB.41.7892",
2245 publisher = "American Physical Society",
2246 notes = "vasp pseudopotentials",
2250 title = "Accurate and simple density functional for the
2251 electronic exchange energy: Generalized gradient
2253 author = "John P. Perdew and Wang Yue",
2254 journal = "Phys. Rev. B",
2257 pages = "8800--8802",
2261 doi = "10.1103/PhysRevB.33.8800",
2262 publisher = "American Physical Society",
2263 notes = "rapid communication gga",
2267 title = "Generalized gradient approximations for exchange and
2268 correlation: {A} look backward and forward",
2269 journal = "Physica B: Condensed Matter",
2276 doi = "DOI: 10.1016/0921-4526(91)90409-8",
2277 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8GR9-3D/2/18e610a616e4d80b934079c89063ece7",
2278 author = "John P. Perdew",
2279 notes = "gga overview",
2283 title = "Atoms, molecules, solids, and surfaces: Applications
2284 of the generalized gradient approximation for exchange
2286 author = "John P. Perdew and J. A. Chevary and S. H. Vosko and
2287 Koblar A. Jackson and Mark R. Pederson and D. J. Singh
2288 and Carlos Fiolhais",
2289 journal = "Phys. Rev. B",
2292 pages = "6671--6687",
2296 doi = "10.1103/PhysRevB.46.6671",
2297 publisher = "American Physical Society",
2298 notes = "gga pw91 (as in vasp)",
2301 @Article{baldereschi73,
2302 title = "Mean-Value Point in the Brillouin Zone",
2303 author = "A. Baldereschi",
2304 journal = "Phys. Rev. B",
2307 pages = "5212--5215",
2311 doi = "10.1103/PhysRevB.7.5212",
2312 publisher = "American Physical Society",
2313 notes = "mean value k point",
2317 title = "Ab initio pseudopotential calculations of dopant
2319 journal = "Computational Materials Science",
2326 doi = "DOI: 10.1016/S0927-0256(98)00023-8",
2327 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VB7F2K-7/2/aa864582273be8e054300efb7bd16a1b",
2328 author = "Jing Zhu",
2329 keywords = "TED (transient enhanced diffusion)",
2330 keywords = "Boron dopant",
2331 keywords = "Carbon dopant",
2332 keywords = "Defect",
2333 keywords = "ab initio pseudopotential method",
2334 keywords = "Impurity cluster",
2335 notes = "binding of c to si interstitial, c in si defects",
2339 author = "A. Nejim and P. L. F. Hemment and J. Stoemenos",
2341 title = "Si{C} buried layer formation by ion beam synthesis at
2345 journal = "Applied Physics Letters",
2348 pages = "2646--2648",
2349 keywords = "SILICON; ION IMPLANTATION; CARBON IONS; SILICON
2350 CARBIDES; BURIED LAYERS; SYNTHESIS; KEV RANGE 100 --
2351 1000; CRYSTAL DEFECTS; MORPHOLOGY; RBS; TRANSMISSION
2352 ELECTRON MICROSCOPY",
2353 URL = "http://link.aip.org/link/?APL/66/2646/1",
2354 doi = "10.1063/1.113112",
2355 notes = "precipitation mechanism by substitutional carbon, si
2356 self interstitials react with further implanted c",
2360 author = "C. Guedj and M. W. Dashiell and L. Kulik and J.
2361 Kolodzey and A. Hairie",
2363 title = "Precipitation of beta-Si{C} in Si[sub 1 - y]{C}[sub y]
2367 journal = "Journal of Applied Physics",
2370 pages = "4631--4633",
2371 keywords = "silicon compounds; precipitation; localised modes;
2372 semiconductor epitaxial layers; infrared spectra;
2373 Fourier transform spectra; thermal stability;
2375 URL = "http://link.aip.org/link/?JAP/84/4631/1",
2376 doi = "10.1063/1.368703",
2377 notes = "coherent 3C-SiC, topotactic",
2381 author = "R Jones and B J Coomer and P R Briddon",
2382 title = "Quantum mechanical modelling of defects in
2384 journal = "Journal of Physics: Condensed Matter",
2388 URL = "http://stacks.iop.org/0953-8984/16/i=27/a=004",
2390 notes = "ab inito init, vibrational modes, c defect in si",
2394 author = "S. Y. Park and J. D'Arcy-Gall and D. Gall and J. A. N.
2395 T Soares and Y.-W. Kim and H. Kim and P. Desjardins and
2396 J. E. Greene and S. G. Bishop",
2398 title = "Carbon incorporation pathways and lattice sites in
2399 Si[sub 1 - y]{C}[sub y] alloys grown on Si(001) by
2400 molecular-beam epitaxy",
2403 journal = "Journal of Applied Physics",
2406 pages = "5716--5727",
2407 URL = "http://link.aip.org/link/?JAP/91/5716/1",
2408 doi = "10.1063/1.1465122",
2409 notes = "c substitutional incorporation pathway, dft and expt",
2413 title = "Dynamic properties of interstitial carbon and
2414 carbon-carbon pair defects in silicon",
2415 author = "P. Leary and R. Jones and S. {\"O}berg and V. J. B.
2417 journal = "Phys. Rev. B",
2420 pages = "2188--2194",
2424 doi = "10.1103/PhysRevB.55.2188",
2425 publisher = "American Physical Society",
2426 notes = "ab initio c in si and di-carbon defect, no formation
2431 title = "Interstitial carbon and the carbon-carbon pair in
2432 silicon: Semiempirical electronic-structure
2434 author = "Matthew J. Burnard and Gary G. DeLeo",
2435 journal = "Phys. Rev. B",
2438 pages = "10217--10225",
2442 doi = "10.1103/PhysRevB.47.10217",
2443 publisher = "American Physical Society",
2444 notes = "semi empirical mndo, pm3 and mindo3 c in si and di
2445 carbon defect, formation energies",
2449 title = "Review of atomistic simulations of surface diffusion
2450 and growth on semiconductors",
2451 journal = "Computational Materials Science",
2456 note = "Proceedings of the Workshop on Virtual Molecular Beam
2459 doi = "DOI: 10.1016/0927-0256(96)00030-4",
2460 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VSFF1G-7/2/afc8408b00ded1ca2dc3ad1686c2dae6",
2461 author = "Efthimios Kaxiras",
2462 notes = "might contain c 100 db formation energy",