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 author = "A. R. Bean and R. C. Newman",
46 journal = "J. Phys. Chem. Solids",
50 notes = "experimental solubility data of carbon in silicon",
54 author = "M. A. Capano and R. J. Trew",
55 title = "Silicon Carbide Electronic Materials and Devices",
56 journal = "MRS Bull.",
63 author = "G. R. Fisher and P. Barnes",
64 title = "Towards a unified view of polytypism in silicon
66 journal = "Philosophical Magazine Part B",
70 notes = "sic polytypes",
74 author = "R. Kögler and F. Eichhorn and J. R. Kaschny and A.
75 Mücklich and H. Reuther and W. Skorupa and C. Serre and
77 title = "Synthesis of nano-sized Si{C} precipitates in Si by
78 simultaneous dual-beam implantation of {C}+ and Si+
80 journal = "Applied Physics A: Materials Science \& Processing",
85 notes = "dual implantation, sic prec enhanced by vacancies",
89 author = "P. S. de Laplace",
90 title = "Th\'eorie analytique des probabilit\'es",
91 series = "Oeuvres Compl\`etes de Laplace",
93 publisher = "Gauthier-Villars",
98 author = "A. {Mattoni} and M. {Ippolito} and L. {Colombo}",
99 title = "{Atomistic modeling of brittleness in covalent
101 journal = "Phys. Rev. B",
107 doi = "10.1103/PhysRevB.76.224103",
108 notes = "adopted tersoff potential for Si, C, Ge ad SiC;
109 longe(r)-range-interactions, brittle propagation of
110 fracture, more available potentials, universal energy
111 relation (uer), minimum range model (mrm)",
115 title = "Comparative study of silicon empirical interatomic
117 author = "H. Balamane and T. Halicioglu and W. A. Tiller",
118 journal = "Phys. Rev. B",
121 pages = "2250--2279",
125 doi = "10.1103/PhysRevB.46.2250",
126 publisher = "American Physical Society",
127 notes = "comparison of classical potentials for si",
131 title = "Stress relaxation in $a-Si$ induced by ion
133 author = "H. M. Urbassek M. Koster",
134 journal = "Phys. Rev. B",
137 pages = "11219--11224",
141 doi = "10.1103/PhysRevB.62.11219",
142 publisher = "American Physical Society",
143 notes = "virial derivation for 3-body tersoff potential",
146 @Article{breadmore99,
147 title = "Direct simulation of ion-beam-induced stressing and
148 amorphization of silicon",
149 author = "N. Gr\o{}nbech-Jensen K. M. Beardmore",
150 journal = "Phys. Rev. B",
153 pages = "12610--12616",
157 doi = "10.1103/PhysRevB.60.12610",
158 publisher = "American Physical Society",
159 notes = "virial derivation for 3-body tersoff potential",
163 author = "Henri Moissan",
164 title = "Nouvelles recherches sur la météorité de Cañon
166 journal = "Comptes rendus de l'Académie des Sciences",
173 author = "Y. S. Park",
174 title = "Si{C} Materials and Devices",
175 publisher = "Academic Press",
176 address = "San Diego",
181 author = "Valeri F. Tsvetkov and R. C. Glass and D. Henshall and
182 Calvin H. Carter Jr. and D. Asbury",
183 title = "Si{C} Seeded Boule Growth",
184 journal = "Materials Science Forum",
188 notes = "modified lely process, micropipes",
192 title = "Computer {"}Experiments{"} on Classical Fluids. {I}.
193 Thermodynamical Properties of Lennard-Jones Molecules",
194 author = "Loup Verlet",
195 journal = "Phys. Rev.",
201 doi = "10.1103/PhysRev.159.98",
202 publisher = "American Physical Society",
203 notes = "velocity verlet integration algorithm equation of
207 @Article{berendsen84,
208 author = "H. J. C. Berendsen and J. P. M. Postma and W. F. van
209 Gunsteren and A. DiNola and J. R. Haak",
211 title = "Molecular dynamics with coupling to an external bath",
214 journal = "The Journal of Chemical Physics",
217 pages = "3684--3690",
218 keywords = "MOLECULAR DYNAMICS CALCULATION; TRANSPORT THEORY;
219 COMPUTERIZED SIMULATION; LIQUIDS; STRUCTURE FACTORS",
220 URL = "http://link.aip.org/link/?JCP/81/3684/1",
221 doi = "10.1063/1.448118",
222 notes = "berendsen thermostat barostat",
226 author = "Hanchen Huang and N M Ghoniem and J K Wong and M
228 title = "Molecular dynamics determination of defect energetics
229 in beta -Si{C} using three representative empirical
231 journal = "Modelling and Simulation in Materials Science and
236 URL = "http://stacks.iop.org/0965-0393/3/615",
237 notes = "comparison of tersoff, pearson and eam for defect
238 energetics in sic; (m)eam parameters for sic",
243 title = "Relationship between the embedded-atom method and
245 author = "Donald W. Brenner",
246 journal = "Phys. Rev. Lett.",
253 doi = "10.1103/PhysRevLett.63.1022",
254 publisher = "American Physical Society",
255 notes = "relation of tersoff and eam potential",
259 title = "Molecular-dynamics study of self-interstitials in
261 author = "Inder P. Batra and Farid F. Abraham and S. Ciraci",
262 journal = "Phys. Rev. B",
265 pages = "9552--9558",
269 doi = "10.1103/PhysRevB.35.9552",
270 publisher = "American Physical Society",
271 notes = "selft-interstitials in silicon, stillinger-weber,
272 calculation of defect formation energy, defect
277 title = "Extended interstitials in silicon and germanium",
278 author = "H. R. Schober",
279 journal = "Phys. Rev. B",
282 pages = "13013--13015",
286 doi = "10.1103/PhysRevB.39.13013",
287 publisher = "American Physical Society",
288 notes = "stillinger-weber silicon 110 stable and metastable
289 dumbbell configuration",
293 title = "Cascade overlap and amorphization in $3{C}-Si{C}:$
294 Defect accumulation, topological features, and
296 author = "F. Gao and W. J. Weber",
297 journal = "Phys. Rev. B",
304 doi = "10.1103/PhysRevB.66.024106",
305 publisher = "American Physical Society",
306 notes = "sic intro, si cascade in 3c-sic, amorphization,
307 tersoff modified, pair correlation of amorphous sic, md
311 @Article{devanathan98,
312 title = "Computer simulation of a 10 ke{V} Si displacement
314 journal = "Nuclear Instruments and Methods in Physics Research
315 Section B: Beam Interactions with Materials and Atoms",
321 doi = "DOI: 10.1016/S0168-583X(98)00084-6",
322 author = "R. Devanathan and W. J. Weber and T. Diaz de la
324 notes = "modified tersoff short range potential, ab initio
328 @Article{devanathan98_2,
329 title = "Displacement threshold energies in [beta]-Si{C}",
330 journal = "Journal of Nuclear Materials",
336 doi = "DOI: 10.1016/S0022-3115(97)00304-8",
337 author = "R. Devanathan and T. Diaz de la Rubia and W. J.
339 notes = "modified tersoff, ab initio, combined ab initio
343 @Article{kitabatake00,
344 title = "Si{C}/Si heteroepitaxial growth",
345 author = "M. Kitabatake",
346 journal = "Thin Solid Films",
351 notes = "md simulation, sic si heteroepitaxy, mbe",
355 title = "Intrinsic point defects in crystalline silicon:
356 Tight-binding molecular dynamics studies of
357 self-diffusion, interstitial-vacancy recombination, and
359 author = "M. Tang and L. Colombo and J. Zhu and T. Diaz de la
361 journal = "Phys. Rev. B",
364 pages = "14279--14289",
368 doi = "10.1103/PhysRevB.55.14279",
369 publisher = "American Physical Society",
370 notes = "si self interstitial, diffusion, tbmd",
374 title = "Barrier to Migration of the Silicon
376 author = "Y. Bar-Yam and J. D. Joannopoulos",
377 journal = "Phys. Rev. Lett.",
380 pages = "1129--1132",
384 doi = "10.1103/PhysRevLett.52.1129",
385 publisher = "American Physical Society",
386 notes = "si self-interstitial migration barrier",
390 title = "Tight-binding theory of native point defects in
392 author = "L. Colombo",
393 journal = "Annu. Rev. Mater. Res.",
398 doi = "10.1146/annurev.matsci.32.111601.103036",
399 publisher = "Annual Reviews",
400 notes = "si self interstitial, tbmd, virial stress",
403 @Article{al-mushadani03,
404 title = "Free-energy calculations of intrinsic point defects in
406 author = "O. K. Al-Mushadani and R. J. Needs",
407 journal = "Phys. Rev. B",
414 doi = "10.1103/PhysRevB.68.235205",
415 publisher = "American Physical Society",
416 notes = "formation energies of intrinisc point defects in
417 silicon, si self interstitials",
421 title = "Ab initio study of self-diffusion in silicon over a
422 wide temperature range: Point defect states and
423 migration mechanisms",
424 author = "Shangyi Ma and Shaoqing Wang",
425 journal = "Phys. Rev. B",
432 doi = "10.1103/PhysRevB.81.193203",
433 publisher = "American Physical Society",
434 notes = "si self interstitial diffusion + refs",
438 title = "Correlation between self-diffusion in Si and the
439 migration mechanisms of vacancies and
440 self-interstitials: An atomistic study",
441 author = "M. Posselt and F. Gao and H. Bracht",
442 journal = "Phys. Rev. B",
449 doi = "10.1103/PhysRevB.78.035208",
450 publisher = "American Physical Society",
451 notes = "si self-interstitial and vacancy diffusion, stillinger
456 title = "Ab initio and empirical-potential studies of defect
457 properties in $3{C}-Si{C}$",
458 author = "F. Gao and E. J. Bylaska and W. J. Weber and L. R.
460 journal = "Phys. Rev. B",
467 doi = "10.1103/PhysRevB.64.245208",
468 publisher = "American Physical Society",
469 notes = "defects in 3c-sic",
472 @Article{mattoni2002,
473 title = "Self-interstitial trapping by carbon complexes in
474 crystalline silicon",
475 author = "A. Mattoni and F. Bernardini and L. Colombo",
476 journal = "Phys. Rev. B",
483 doi = "10.1103/PhysRevB.66.195214",
484 publisher = "American Physical Society",
485 notes = "c in c-si, diffusion, interstitial configuration +
486 links, interaction of carbon and silicon interstitials,
487 tersoff suitability",
491 title = "Calculations of Silicon Self-Interstitial Defects",
492 author = "W.-K. Leung and R. J. Needs and G. Rajagopal and S.
494 journal = "Phys. Rev. Lett.",
497 pages = "2351--2354",
501 doi = "10.1103/PhysRevLett.83.2351",
502 publisher = "American Physical Society",
503 notes = "nice images of the defects, si defect overview +
508 title = "Identification of the migration path of interstitial
510 author = "R. B. Capaz and A. Dal Pino and J. D. Joannopoulos",
511 journal = "Phys. Rev. B",
514 pages = "7439--7442",
518 doi = "10.1103/PhysRevB.50.7439",
519 publisher = "American Physical Society",
520 notes = "carbon interstitial migration path shown, 001 c-si
525 title = "Ab initio investigation of carbon-related defects in
527 author = "A. Dal Pino and Andrew M. Rappe and J. D.
529 journal = "Phys. Rev. B",
532 pages = "12554--12557",
536 doi = "10.1103/PhysRevB.47.12554",
537 publisher = "American Physical Society",
538 notes = "c interstitials in crystalline silicon",
542 title = "Microscopic Theory of Atomic Diffusion Mechanisms in
544 author = "Roberto Car and Paul J. Kelly and Atsushi Oshiyama and
545 Sokrates T. Pantelides",
546 journal = "Phys. Rev. Lett.",
549 pages = "1814--1817",
553 doi = "10.1103/PhysRevLett.52.1814",
554 publisher = "American Physical Society",
555 notes = "microscopic theory diffusion silicon dft migration
560 title = "Unified Approach for Molecular Dynamics and
561 Density-Functional Theory",
562 author = "R. Car and M. Parrinello",
563 journal = "Phys. Rev. Lett.",
566 pages = "2471--2474",
570 doi = "10.1103/PhysRevLett.55.2471",
571 publisher = "American Physical Society",
572 notes = "car parrinello method, dft and md",
576 title = "Short-range order, bulk moduli, and physical trends in
577 c-$Si1-x$$Cx$ alloys",
578 author = "P. C. Kelires",
579 journal = "Phys. Rev. B",
582 pages = "8784--8787",
586 doi = "10.1103/PhysRevB.55.8784",
587 publisher = "American Physical Society",
588 notes = "c strained si, montecarlo md, bulk moduli, next
593 title = "Monte Carlo Studies of Ternary Semiconductor Alloys:
594 Application to the $Si1-x-yGexCy$ System",
595 author = "P. C. Kelires",
596 journal = "Phys. Rev. Lett.",
599 pages = "1114--1117",
603 doi = "10.1103/PhysRevLett.75.1114",
604 publisher = "American Physical Society",
605 notes = "mc md, strain compensation in si ge by c insertion",
609 title = "Low temperature electron irradiation of silicon
611 journal = "Solid State Communications",
618 doi = "DOI: 10.1016/0038-1098(70)90074-8",
619 URL = "http://www.sciencedirect.com/science/article/B6TVW-46MF8S4-156/2/5f4d9c189a3d97227fde9214195aa081",
620 author = "A. R. Bean and R. C. Newman",
624 title = "{EPR} Observation of the Isolated Interstitial Carbon
626 author = "G. D. Watkins and K. L. Brower",
627 journal = "Phys. Rev. Lett.",
630 pages = "1329--1332",
634 doi = "10.1103/PhysRevLett.36.1329",
635 publisher = "American Physical Society",
636 notes = "epr observations of 100 interstitial carbon atom in
641 title = "{EPR} identification of the single-acceptor state of
642 interstitial carbon in silicon",
643 author = "G. D. Watkins L. W. Song",
644 journal = "Phys. Rev. B",
647 pages = "5759--5764",
651 doi = "10.1103/PhysRevB.42.5759",
652 publisher = "American Physical Society",
653 notes = "carbon diffusion in silicon",
657 author = "A K Tipping and R C Newman",
658 title = "The diffusion coefficient of interstitial carbon in
660 journal = "Semiconductor Science and Technology",
664 URL = "http://stacks.iop.org/0268-1242/2/315",
666 notes = "diffusion coefficient of carbon interstitials in
671 title = "Carbon incorporation into Si at high concentrations by
672 ion implantation and solid phase epitaxy",
673 author = "J. W. Strane and S. R. Lee and H. J. Stein and S. T.
674 Picraux and J. K. Watanabe and J. W. Mayer",
675 journal = "J. Appl. Phys.",
680 doi = "10.1063/1.360806",
681 notes = "strained silicon, carbon supersaturation",
684 @Article{laveant2002,
685 title = "Epitaxy of carbon-rich silicon with {MBE}",
686 author = "P. Laveant and G. Gerth and P. Werner and U.
688 journal = "Materials Science and Engineering B",
692 keywords = "Growth; Epitaxy; MBE; Carbon; Silicon",
693 notes = "low c in si, tensile stress to compensate compressive
694 stress, avoid sic precipitation",
698 author = "P. Werner and S. Eichler and G. Mariani and R.
699 K{\"{o}}gler and W. Skorupa",
700 title = "Investigation of {C}[sub x]Si defects in {C} implanted
701 silicon by transmission electron microscopy",
704 journal = "Applied Physics Letters",
708 keywords = "silicon; ion implantation; carbon; crystal defects;
709 transmission electron microscopy; annealing; positron
710 annihilation; secondary ion mass spectroscopy; buried
711 layers; precipitation",
712 URL = "http://link.aip.org/link/?APL/70/252/1",
713 doi = "10.1063/1.118381",
714 notes = "si-c complexes, agglomerate, sic in si matrix, sic
718 @InProceedings{werner96,
719 author = "P. Werner and R. Koegler and W. Skorupa and D.
721 booktitle = "Ion Implantation Technology. Proceedings of the 11th
722 International Conference on",
723 title = "{TEM} investigation of {C}-Si defects in carbon
730 keywords = "beta;-SiC precipitates;30 s;700 to 1300 C;C
731 atom/radiation induced defect interaction;C depth
732 distribution;C precipitation;C-Si defects;C-Si
733 dimers;CZ Si;HREM;Si:C;TEM;buried layer morphology;high
734 energy ion implantation;ion implantation;metastable
735 agglomerates;microdefects;positron annihilation
736 spectroscopy;rapid thermal annealing;secondary ion mass
737 spectrometry;vacancy clusters;buried
738 layers;carbon;elemental semiconductors;impurity-defect
739 interactions;ion implantation;positron
740 annihilation;precipitation;rapid thermal
741 annealing;secondary ion mass
742 spectra;silicon;transmission electron
743 microscopy;vacancies (crystal);",
744 doi = "10.1109/IIT.1996.586497",
746 notes = "c-si agglomerates dumbbells",
750 author = "J. W. Strane and H. J. Stein and S. R. Lee and S. T.
751 Picraux and J. K. Watanabe and J. W. Mayer",
753 title = "Precipitation and relaxation in strained Si[sub 1 -
754 y]{C}[sub y]/Si heterostructures",
757 journal = "Journal of Applied Physics",
760 pages = "3656--3668",
761 keywords = "SILICON CARBIDES; SILICON; PRECIPITATION; STRAINS",
762 URL = "http://link.aip.org/link/?JAP/76/3656/1",
763 doi = "10.1063/1.357429",
764 notes = "strained si-c to 3c-sic, carbon nucleation + refs",
768 title = "Prospects for device implementation of wide band gap
770 author = "J. H. Edgar",
771 journal = "J. Mater. Res.",
776 doi = "10.1557/JMR.1992.0235",
777 notes = "properties wide band gap semiconductor, sic
781 @Article{zirkelbach2007,
782 title = "Monte Carlo simulation study of a selforganisation
783 process leading to ordered precipitate structures",
784 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
786 journal = "Nucl. Instr. and Meth. B",
793 doi = "doi:10.1016/j.nimb.2006.12.118",
794 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
798 @Article{zirkelbach2006,
799 title = "Monte-Carlo simulation study of the self-organization
800 of nanometric amorphous precipitates in regular arrays
801 during ion irradiation",
802 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
804 journal = "Nucl. Instr. and Meth. B",
811 doi = "doi:10.1016/j.nimb.2005.08.162",
812 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
816 @Article{zirkelbach2005,
817 title = "Modelling of a selforganization process leading to
818 periodic arrays of nanometric amorphous precipitates by
820 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
822 journal = "Comp. Mater. Sci.",
829 doi = "doi:10.1016/j.commatsci.2004.12.016",
830 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
835 title = "Controlling the density distribution of Si{C}
836 nanocrystals for the ion beam synthesis of buried Si{C}
838 journal = "Nuclear Instruments and Methods in Physics Research
839 Section B: Beam Interactions with Materials and Atoms",
846 doi = "DOI: 10.1016/S0168-583X(98)00598-9",
847 URL = "http://www.sciencedirect.com/science/article/B6TJN-3YMWWDY-1H/2/ad53e614f783b2a7474aecb936dd0169",
848 author = "J. K. N. Lindner and B. Stritzker",
849 notes = "two-step implantation process",
852 @Article{lindner99_2,
853 title = "Mechanisms in the ion beam synthesis of Si{C} layers
855 journal = "Nuclear Instruments and Methods in Physics Research
856 Section B: Beam Interactions with Materials and Atoms",
862 doi = "DOI: 10.1016/S0168-583X(98)00787-3",
863 URL = "http://www.sciencedirect.com/science/article/B6TJN-3XGFSSH-3H/2/17d138baa6db68cb279e6de9161e5f85",
864 author = "J. K. N. Lindner and B. Stritzker",
865 notes = "3c-sic precipitation model, c-si dimers (dumbbells)",
869 title = "Ion beam synthesis of buried Si{C} layers in silicon:
870 Basic physical processes",
871 journal = "Nuclear Instruments and Methods in Physics Research
872 Section B: Beam Interactions with Materials and Atoms",
879 doi = "DOI: 10.1016/S0168-583X(01)00504-3",
880 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KG96-8/2/f222574d8945c3fd7aaf9ae1efdd37b3",
881 author = "Jörg K. N. Lindner",
885 title = "High-dose carbon implantations into silicon:
886 fundamental studies for new technological tricks",
887 author = "J. K. N. Lindner",
888 journal = "Appl. Phys. A",
892 doi = "10.1007/s00339-002-2062-8",
893 notes = "ibs, burried sic layers",
897 title = "Ion beam synthesis of 3{C}-Si{C} layers in Si and its
898 application in buffer layer for Ga{N} epitaxial
900 journal = "Applied Surface Science",
905 note = "APHYS'03 Special Issue",
907 doi = "DOI: 10.1016/j.apsusc.2004.05.199",
908 URL = "http://www.sciencedirect.com/science/article/B6THY-4CTTNGX-B/2/d24ee637db87f3f1a6ef7fe6820f267c",
909 author = "Y. Ito and T. Yamauchi and A. Yamamoto and M. Sasase
910 and S. Nishio and K. Yasuda and Y. Ishigami",
911 notes = "gan on 3c-sic",
915 author = "B. J. Alder and T. E. Wainwright",
916 title = "Phase Transition for a Hard Sphere System",
919 journal = "The Journal of Chemical Physics",
922 pages = "1208--1209",
923 URL = "http://link.aip.org/link/?JCP/27/1208/1",
924 doi = "10.1063/1.1743957",
928 author = "B. J. Alder and T. E. Wainwright",
929 title = "Studies in Molecular Dynamics. {I}. General Method",
932 journal = "The Journal of Chemical Physics",
936 URL = "http://link.aip.org/link/?JCP/31/459/1",
937 doi = "10.1063/1.1730376",
940 @Article{tersoff_si1,
941 title = "New empirical model for the structural properties of
943 author = "J. Tersoff",
944 journal = "Phys. Rev. Lett.",
951 doi = "10.1103/PhysRevLett.56.632",
952 publisher = "American Physical Society",
955 @Article{tersoff_si2,
956 title = "New empirical approach for the structure and energy of
958 author = "J. Tersoff",
959 journal = "Phys. Rev. B",
962 pages = "6991--7000",
966 doi = "10.1103/PhysRevB.37.6991",
967 publisher = "American Physical Society",
970 @Article{tersoff_si3,
971 title = "Empirical interatomic potential for silicon with
972 improved elastic properties",
973 author = "J. Tersoff",
974 journal = "Phys. Rev. B",
977 pages = "9902--9905",
981 doi = "10.1103/PhysRevB.38.9902",
982 publisher = "American Physical Society",
986 title = "Empirical Interatomic Potential for Carbon, with
987 Applications to Amorphous Carbon",
988 author = "J. Tersoff",
989 journal = "Phys. Rev. Lett.",
992 pages = "2879--2882",
996 doi = "10.1103/PhysRevLett.61.2879",
997 publisher = "American Physical Society",
1001 title = "Modeling solid-state chemistry: Interatomic potentials
1002 for multicomponent systems",
1003 author = "J. Tersoff",
1004 journal = "Phys. Rev. B",
1007 pages = "5566--5568",
1011 doi = "10.1103/PhysRevB.39.5566",
1012 publisher = "American Physical Society",
1016 title = "Carbon defects and defect reactions in silicon",
1017 author = "J. Tersoff",
1018 journal = "Phys. Rev. Lett.",
1021 pages = "1757--1760",
1025 doi = "10.1103/PhysRevLett.64.1757",
1026 publisher = "American Physical Society",
1030 title = "Point defects and dopant diffusion in silicon",
1031 author = "P. M. Fahey and P. B. Griffin and J. D. Plummer",
1032 journal = "Rev. Mod. Phys.",
1039 doi = "10.1103/RevModPhys.61.289",
1040 publisher = "American Physical Society",
1044 title = "Silicon carbide: synthesis and processing",
1045 journal = "Nuclear Instruments and Methods in Physics Research
1046 Section B: Beam Interactions with Materials and Atoms",
1051 note = "Radiation Effects in Insulators",
1053 doi = "DOI: 10.1016/0168-583X(96)00065-1",
1054 URL = "http://www.sciencedirect.com/science/article/B6TJN-3VXHNFT-C7/2/4216cb1ec9e422c22de5fed7360fb06e",
1055 author = "W. Wesch",
1059 author = "H. Morko\c{c} and S. Strite and G. B. Gao and M. E.
1060 Lin and B. Sverdlov and M. Burns",
1062 title = "Large-band-gap Si{C}, {III}-{V} nitride, and {II}-{VI}
1063 ZnSe-based semiconductor device technologies",
1066 journal = "Journal of Applied Physics",
1069 pages = "1363--1398",
1070 keywords = "SEMICONDUCTOR DEVICES; SILICON CARBIDES; GALLIUM
1071 NITRIDES; ZINC SELENIDES; SUBSTRATES; MOS JUNCTIONS;
1072 LASER MATERIALS; MATERIALS; REVIEWS; ENERGY GAP; THIN
1074 URL = "http://link.aip.org/link/?JAP/76/1363/1",
1075 doi = "10.1063/1.358463",
1079 author = "Noch Unbekannt",
1080 title = "How to find references",
1081 journal = "Journal of Applied References",
1088 title = "Atomistic simulation of thermomechanical properties of
1090 author = "Meijie Tang and Sidney Yip",
1091 journal = "Phys. Rev. B",
1094 pages = "15150--15159",
1097 doi = "10.1103/PhysRevB.52.15150",
1098 notes = "modified tersoff, scale cutoff with volume, promising
1099 tersoff reparametrization",
1100 publisher = "American Physical Society",
1104 title = "Silicon carbide as a new {MEMS} technology",
1105 journal = "Sensors and Actuators A: Physical",
1111 doi = "DOI: 10.1016/S0924-4247(99)00335-0",
1112 URL = "http://www.sciencedirect.com/science/article/B6THG-406VM55-13/2/75385a587669b215d9ef88029a93fd59",
1113 author = "Pasqualina M. Sarro",
1115 keywords = "Silicon carbide",
1116 keywords = "Micromachining",
1117 keywords = "Mechanical stress",
1121 title = "Status of silicon carbide (Si{C}) as a wide-bandgap
1122 semiconductor for high-temperature applications: {A}
1124 journal = "Solid-State Electronics",
1127 pages = "1409--1422",
1130 doi = "DOI: 10.1016/0038-1101(96)00045-7",
1131 URL = "http://www.sciencedirect.com/science/article/B6TY5-3VSR9J0-1/2/a871c11636e937dc45bfdf48e29f725b",
1132 author = "J. B. Casady and R. W. Johnson",
1135 @Article{giancarli98,
1136 title = "Design requirements for Si{C}/Si{C} composites
1137 structural material in fusion power reactor blankets",
1138 journal = "Fusion Engineering and Design",
1144 doi = "DOI: 10.1016/S0920-3796(97)00200-7",
1145 URL = "http://www.sciencedirect.com/science/article/B6V3C-3V8RYK8-T/2/16949194114900fd1330f79892d7a7be",
1146 author = "L. Giancarli and J. P. Bonal and A. Caso and G. Le
1147 Marois and N. B. Morley and J. F. Salavy",
1151 title = "Electrical and optical characterization of Si{C}",
1152 journal = "Physica B: Condensed Matter",
1158 doi = "DOI: 10.1016/0921-4526(93)90249-6",
1159 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8HRX-99/2/eab9398bf2bbf10df3ae42c2ab28a776",
1160 author = "G. Pensl and W. J. Choyke",
1164 title = "Investigation of growth processes of ingots of silicon
1165 carbide single crystals",
1166 journal = "Journal of Crystal Growth",
1171 notes = "modifief lely process",
1173 doi = "DOI: 10.1016/0022-0248(78)90169-0",
1174 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BY2NR-7S/2/fa6fee78ebd8322491f6366e72d5b6dc",
1175 author = "Yu. M. Tairov and V. F. Tsvetkov",
1179 author = "Shigehiro Nishino and J. Anthony Powell and Herbert A.
1182 title = "Production of large-area single-crystal wafers of
1183 cubic Si{C} for semiconductor devices",
1186 journal = "Applied Physics Letters",
1190 keywords = "silicon carbides; layers; chemical vapor deposition;
1192 URL = "http://link.aip.org/link/?APL/42/460/1",
1193 doi = "10.1063/1.93970",
1194 notes = "cvd of 3c-sic on si, sic buffer layer",
1198 author = "Shigehiro Nishino and Hajime Suhara and Hideyuki Ono
1199 and Hiroyuki Matsunami",
1201 title = "Epitaxial growth and electric characteristics of cubic
1205 journal = "Journal of Applied Physics",
1208 pages = "4889--4893",
1209 URL = "http://link.aip.org/link/?JAP/61/4889/1",
1210 doi = "10.1063/1.338355",
1211 notes = "cvd of 3c-sic on si, sic buffer layer, first time
1216 author = "J. Anthony Powell and Lawrence G. Matus and Maria A.
1218 title = "Growth and Characterization of Cubic Si{C}
1219 Single-Crystal Films on Si",
1222 journal = "Journal of The Electrochemical Society",
1225 pages = "1558--1565",
1226 keywords = "semiconductor materials; silicon compounds; carbon
1227 compounds; crystal morphology; electron mobility",
1228 URL = "http://link.aip.org/link/?JES/134/1558/1",
1229 doi = "10.1149/1.2100708",
1230 notes = "blue light emitting diodes (led)",
1234 author = "Tsunenobu Kimoto and Hironori Nishino and Woo Sik Yoo
1235 and Hiroyuki Matsunami",
1236 title = "Growth mechanism of 6{H}-Si{C} in step-controlled
1240 journal = "Journal of Applied Physics",
1244 keywords = "SILICON CARBIDES; EPITAXY; GROWTH RATE; TEMPERATURE
1245 RANGE 10004000 K; TWINNING; ACTIVATION ENERGY; CHEMICAL
1247 URL = "http://link.aip.org/link/?JAP/73/726/1",
1248 doi = "10.1063/1.353329",
1249 notes = "cvd of 6h-sic on 6h-sic, twinned 3c-sic",
1253 author = "J. A. Powell and D. J. Larkin and L. G. Matus and W.
1254 J. Choyke and J. L. Bradshaw and L. Henderson and M.
1255 Yoganathan and J. Yang and P. Pirouz",
1257 title = "Growth of improved quality 3{C}-Si{C} films on
1258 6{H}-Si{C} substrates",
1261 journal = "Applied Physics Letters",
1264 pages = "1353--1355",
1265 keywords = "SILICON CARBIDES; CHEMICAL VAPOR DEPOSITION; SORPTIVE
1266 PROPERTIES; PHOTOLUMINESCENCE; TRANSMISSION ELECTRON
1267 MICROSCOPY; DEFECT STRUCTURE; STACKING FAULTS; VAPOR
1269 URL = "http://link.aip.org/link/?APL/56/1353/1",
1270 doi = "10.1063/1.102512",
1271 notes = "cvd of 3c-sic on 6h-sic",
1275 author = "C. Yuan and A. J. Steckl and J. Chaudhuri and R.
1276 Thokala and M. J. Loboda",
1278 title = "Reduced temperature growth of crystalline 3{C}-Si{C}
1279 films on 6{H}-Si{C} by chemical vapor deposition from
1283 journal = "Journal of Applied Physics",
1286 pages = "1271--1273",
1287 keywords = "SILICON CARBIDES; THIN FILMS; CVD; EPITAXY; ABSORPTION
1288 EDGE; CRYSTAL STRUCTURE; STRAINS; DISLOCATIONS; XRD;
1290 URL = "http://link.aip.org/link/?JAP/78/1271/1",
1291 doi = "10.1063/1.360368",
1292 notes = "3c-sic on 6h-sic, cvd, reduced temperature",
1296 title = "Epitaxial growth of Si{C} thin films on Si-stabilized
1297 [alpha]-Si{C}(0001) at low temperatures by solid-source
1298 molecular beam epitaxy",
1299 journal = "Journal of Crystal Growth",
1305 doi = "DOI: 10.1016/0022-0248(95)00170-0",
1306 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3Y5MMXM-1N/2/65549019b878bf02d5ec645b7eea9e98",
1307 author = "A. Fissel and U. Kaiser and E. Ducke and B. Schröter
1309 notes = "solid source mbe of 3c-sic on si and 6h-sic",
1312 @Article{fissel95_apl,
1313 author = "A. Fissel and B. Schr{\"{o}}ter and W. Richter",
1315 title = "Low-temperature growth of Si{C} thin films on Si and
1316 6{H}--Si{C} by solid-source molecular beam epitaxy",
1319 journal = "Applied Physics Letters",
1322 pages = "3182--3184",
1323 keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
1325 URL = "http://link.aip.org/link/?APL/66/3182/1",
1326 doi = "10.1063/1.113716",
1327 notes = "mbe 3c-sic on si and 6h-sic",
1331 author = "J. A. Borders and S. T. Picraux and W. Beezhold",
1333 title = "{FORMATION} {OF} Si{C} {IN} {SILICON} {BY} {ION}
1337 journal = "Applied Physics Letters",
1341 URL = "http://link.aip.org/link/?APL/18/509/1",
1342 doi = "10.1063/1.1653516",
1343 notes = "first time sic by ibs, follow cites for precipitation
1348 author = "K. J. Reeson and P. L. F. Hemment and J. Stoemenos and
1349 J. Davis and G. E. Celler",
1351 title = "Formation of buried layers of beta-Si{C} using ion
1352 beam synthesis and incoherent lamp annealing",
1355 journal = "Applied Physics Letters",
1358 pages = "2242--2244",
1359 keywords = "SILICON CARBIDES; FILM GROWTH; SOLIDPHASE EPITAXY; ION
1360 IMPLANTATION; CARBON IONS; DOPING PROFILES; SYNTHESIS",
1361 URL = "http://link.aip.org/link/?APL/51/2242/1",
1362 doi = "10.1063/1.98953",
1363 notes = "nice tem images, sic by ibs",
1367 author = "R. I. Scace and G. A. Slack",
1369 title = "Solubility of Carbon in Silicon and Germanium",
1372 journal = "The Journal of Chemical Physics",
1375 pages = "1551--1555",
1376 URL = "http://link.aip.org/link/?JCP/30/1551/1",
1377 doi = "10.1063/1.1730236",
1378 notes = "solubility of c in c-si",
1382 author = "N. E. B. Cowern and A. Cacciato and J. S. Custer and
1383 F. W. Saris and W. Vandervorst",
1385 title = "Role of {C} and {B} clusters in transient diffusion of
1389 journal = "Applied Physics Letters",
1392 pages = "1150--1152",
1393 keywords = "ATOMIC CLUSTERS; BORON ADDITIONS; CRYSTAL DOPING;
1394 DIFFUSION; DOPED MATERIALS; IMPURITIES; INTERSTITIALS;
1396 URL = "http://link.aip.org/link/?APL/68/1150/1",
1397 doi = "10.1063/1.115706",
1398 notes = "suppression of transient enhanced diffusion (ted)",
1402 title = "Implantation and transient boron diffusion: the role
1403 of the silicon self-interstitial",
1404 journal = "Nuclear Instruments and Methods in Physics Research
1405 Section B: Beam Interactions with Materials and Atoms",
1410 note = "Selected Papers of the Tenth International Conference
1411 on Ion Implantation Technology (IIT '94)",
1413 doi = "DOI: 10.1016/0168-583X(94)00481-1",
1414 URL = "http://www.sciencedirect.com/science/article/B6TJN-40WKY1P-29/2/602c6e5b809221323d2d2968edd0a71c",
1415 author = "P. A. Stolk and H. -J. Gossmann and D. J. Eaglesham
1420 author = "P. A. Stolk and H.-J. Gossmann and D. J. Eaglesham and
1421 D. C. Jacobson and C. S. Rafferty and G. H. Gilmer and
1422 M. Jara\'{\i}z and J. M. Poate and H. S. Luftman and T.
1425 title = "Physical mechanisms of transient enhanced dopant
1426 diffusion in ion-implanted silicon",
1429 journal = "Journal of Applied Physics",
1432 pages = "6031--6050",
1433 URL = "http://link.aip.org/link/?JAP/81/6031/1",
1434 doi = "10.1063/1.364452",
1435 notes = "ted, transient enhanced diffusion, c silicon trap",
1439 author = "A. R. Powell and F. K. LeGoues and S. S. Iyer",
1441 title = "Formation of beta-Si{C} nanocrystals by the relaxation
1442 of Si[sub 1 - y]{C}[sub y] random alloy layers",
1445 journal = "Applied Physics Letters",
1449 keywords = "SILICON CARBIDES; NANOSTRUCTURES; DISPERSIONS;
1450 EPITAXIAL LAYERS; STRESS RELAXATION; ANNEALING;
1451 TEMPERATURE EFFECTS; PRECIPITATION; DISLOCATIONS;
1453 URL = "http://link.aip.org/link/?APL/64/324/1",
1454 doi = "10.1063/1.111195",
1455 notes = "beta sic nano crystals in si, mbe, annealing",
1459 author = "Richard A. Soref",
1461 title = "Optical band gap of the ternary semiconductor Si[sub 1
1462 - x - y]Ge[sub x]{C}[sub y]",
1465 journal = "Journal of Applied Physics",
1468 pages = "2470--2472",
1469 keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; ENERGY GAP;
1470 OPTICAL PROPERTIES; DIAMONDS; SEMICONDUCTOR ALLOYS;
1472 URL = "http://link.aip.org/link/?JAP/70/2470/1",
1473 doi = "10.1063/1.349403",
1474 notes = "band gap of strained si by c",
1478 author = "E Kasper",
1479 title = "Superlattices of group {IV} elements, a new
1480 possibility to produce direct band gap material",
1481 journal = "Physica Scripta",
1484 URL = "http://stacks.iop.org/1402-4896/T35/232",
1486 notes = "superlattices, convert indirect band gap into a
1491 author = "H. J. Osten and J. Griesche and S. Scalese",
1493 title = "Substitutional carbon incorporation in epitaxial
1494 Si[sub 1 - y]{C}[sub y] alloys on Si(001) grown by
1495 molecular beam epitaxy",
1498 journal = "Applied Physics Letters",
1502 keywords = "molecular beam epitaxial growth; semiconductor growth;
1503 wide band gap semiconductors; interstitials; silicon
1505 URL = "http://link.aip.org/link/?APL/74/836/1",
1506 doi = "10.1063/1.123384",
1507 notes = "substitutional c in si",
1510 @Article{hohenberg64,
1511 title = "Inhomogeneous Electron Gas",
1512 author = "P. Hohenberg and W. Kohn",
1513 journal = "Phys. Rev.",
1516 pages = "B864--B871",
1520 doi = "10.1103/PhysRev.136.B864",
1521 publisher = "American Physical Society",
1522 notes = "density functional theory, dft",
1526 title = "Self-Consistent Equations Including Exchange and
1527 Correlation Effects",
1528 author = "W. Kohn and L. J. Sham",
1529 journal = "Phys. Rev.",
1532 pages = "A1133--A1138",
1536 doi = "10.1103/PhysRev.140.A1133",
1537 publisher = "American Physical Society",
1538 notes = "dft, exchange and correlation",
1542 title = "Strain-stabilized highly concentrated pseudomorphic
1543 $Si1-x$$Cx$ layers in Si",
1544 author = "H. R{\"u}cker and M. Methfessel and E. Bugiel and H.
1546 journal = "Phys. Rev. Lett.",
1549 pages = "3578--3581",
1553 doi = "10.1103/PhysRevLett.72.3578",
1554 publisher = "American Physical Society",
1555 notes = "high c concentration in si, heterostructure, starined
1560 title = "Electron Transport Model for Strained Silicon-Carbon
1562 author = "Shu-Tong Chang and Chung-Yi Lin",
1563 journal = "Japanese Journal of Applied Physics",
1566 pages = "2257--2262",
1569 URL = "http://jjap.ipap.jp/link?JJAP/44/2257/",
1570 doi = "10.1143/JJAP.44.2257",
1571 publisher = "The Japan Society of Applied Physics",
1572 notes = "enhance of electron mobility in starined si",
1576 author = "H. J. Osten and P. Gaworzewski",
1578 title = "Charge transport in strained Si[sub 1 - y]{C}[sub y]
1579 and Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloys on
1583 journal = "Journal of Applied Physics",
1586 pages = "4977--4981",
1587 keywords = "silicon compounds; Ge-Si alloys; wide band gap
1588 semiconductors; semiconductor epitaxial layers; carrier
1589 density; Hall mobility; interstitials; defect states",
1590 URL = "http://link.aip.org/link/?JAP/82/4977/1",
1591 doi = "10.1063/1.366364",
1592 notes = "charge transport in strained si",
1596 title = "Carbon-mediated aggregation of self-interstitials in
1597 silicon: {A} large-scale molecular dynamics study",
1598 author = "Sumeet S. Kapur and Manish Prasad and Talid Sinno",
1599 journal = "Phys. Rev. B",
1606 doi = "10.1103/PhysRevB.69.155214",
1607 publisher = "American Physical Society",
1608 notes = "simulation using promising tersoff reparametrization",
1612 title = "Event-Based Relaxation of Continuous Disordered
1614 author = "G. T. Barkema and Normand Mousseau",
1615 journal = "Phys. Rev. Lett.",
1618 pages = "4358--4361",
1622 doi = "10.1103/PhysRevLett.77.4358",
1623 publisher = "American Physical Society",
1624 notes = "activation relaxation technique, art, speed up slow
1629 author = "E. Canc\`{e}s and F. Legoll and M.-C. Marinica and K.
1630 Minoukadeh and F. Willaime",
1632 title = "Some improvements of the activation-relaxation
1633 technique method for finding transition pathways on
1634 potential energy surfaces",
1637 journal = "The Journal of Chemical Physics",
1643 keywords = "eigenvalues and eigenfunctions; iron; potential energy
1644 surfaces; vacancies (crystal)",
1645 URL = "http://link.aip.org/link/?JCP/130/114711/1",
1646 doi = "10.1063/1.3088532",
1647 notes = "improvements to art, refs for methods to find
1648 transition pathways",
1651 @Article{parrinello81,
1652 author = "M. Parrinello and A. Rahman",
1654 title = "Polymorphic transitions in single crystals: {A} new
1655 molecular dynamics method",
1658 journal = "Journal of Applied Physics",
1661 pages = "7182--7190",
1662 keywords = "MONOCRYSTALS; PHASE TRANSFORMATIONS; STRUCTURAL
1663 MODELS; DYNAMICS; THEORETICAL DATA; STRESSES;
1664 CONFIGURATION; LAGRANGE EQUATIONS; SIZE; NICKEL;
1665 COMPRESSION; TENSILE PROPERTIES; COMPARATIVE
1666 EVALUATIONS; STRAINS; CUBIC LATTICES; HCP LATTICES;
1668 URL = "http://link.aip.org/link/?JAP/52/7182/1",
1669 doi = "10.1063/1.328693",
1672 @Article{stillinger85,
1673 title = "Computer simulation of local order in condensed phases
1675 author = "Frank H. Stillinger and Thomas A. Weber",
1676 journal = "Phys. Rev. B",
1679 pages = "5262--5271",
1683 doi = "10.1103/PhysRevB.31.5262",
1684 publisher = "American Physical Society",
1688 title = "Empirical potential for hydrocarbons for use in
1689 simulating the chemical vapor deposition of diamond
1691 author = "Donald W. Brenner",
1692 journal = "Phys. Rev. B",
1695 pages = "9458--9471",
1699 doi = "10.1103/PhysRevB.42.9458",
1700 publisher = "American Physical Society",
1701 notes = "brenner hydro carbons",
1705 title = "Modeling of Covalent Bonding in Solids by Inversion of
1706 Cohesive Energy Curves",
1707 author = "Martin Z. Bazant and Efthimios Kaxiras",
1708 journal = "Phys. Rev. Lett.",
1711 pages = "4370--4373",
1715 doi = "10.1103/PhysRevLett.77.4370",
1716 publisher = "American Physical Society",
1717 notes = "first si edip",
1721 title = "Environment-dependent interatomic potential for bulk
1723 author = "Martin Z. Bazant and Efthimios Kaxiras and J. F.
1725 journal = "Phys. Rev. B",
1728 pages = "8542--8552",
1732 doi = "10.1103/PhysRevB.56.8542",
1733 publisher = "American Physical Society",
1734 notes = "second si edip",
1738 title = "Interatomic potential for silicon defects and
1740 author = "Jo\~ao F. Justo and Martin Z. Bazant and Efthimios
1741 Kaxiras and V. V. Bulatov and Sidney Yip",
1742 journal = "Phys. Rev. B",
1745 pages = "2539--2550",
1749 doi = "10.1103/PhysRevB.58.2539",
1750 publisher = "American Physical Society",
1751 notes = "latest si edip, good dislocation explanation",
1755 title = "{PARCAS} molecular dynamics code",
1756 author = "K. Nordlund",
1761 title = "Hyperdynamics: Accelerated Molecular Dynamics of
1763 author = "Arthur F. Voter",
1764 journal = "Phys. Rev. Lett.",
1767 pages = "3908--3911",
1771 doi = "10.1103/PhysRevLett.78.3908",
1772 publisher = "American Physical Society",
1773 notes = "hyperdynamics, accelerated md",
1777 author = "Arthur F. Voter",
1779 title = "A method for accelerating the molecular dynamics
1780 simulation of infrequent events",
1783 journal = "The Journal of Chemical Physics",
1786 pages = "4665--4677",
1787 keywords = "COMPUTERIZED SIMULATION; NICKEL; DIFFUSION; ATOM
1788 TRANSPORT; MOLECULAR ORBITAL METHOD; POTENTIAL ENERGY;
1789 SURFACE POTENTIAL; MOLECULAR DYNAMICS METHOD; potential
1790 energy functions; surface diffusion; reaction kinetics
1791 theory; potential energy surfaces",
1792 URL = "http://link.aip.org/link/?JCP/106/4665/1",
1793 doi = "10.1063/1.473503",
1794 notes = "improved hyperdynamics md",
1797 @Article{sorensen2000,
1798 author = "Mads R. S\o rensen and Arthur F. Voter",
1800 title = "Temperature-accelerated dynamics for simulation of
1804 journal = "The Journal of Chemical Physics",
1807 pages = "9599--9606",
1808 keywords = "SOLID STATE PHYSICS; SIMULATION; DIFFUSION; SURFACES;
1809 MOLECULAR DYNAMICS METHOD; surface diffusion",
1810 URL = "http://link.aip.org/link/?JCP/112/9599/1",
1811 doi = "10.1063/1.481576",
1812 notes = "temperature accelerated dynamics, tad",
1816 title = "Parallel replica method for dynamics of infrequent
1818 author = "Arthur F. Voter",
1819 journal = "Phys. Rev. B",
1822 pages = "R13985--R13988",
1826 doi = "10.1103/PhysRevB.57.R13985",
1827 publisher = "American Physical Society",
1828 notes = "parallel replica method, accelerated md",
1832 author = "Xiongwu Wu and Shaomeng Wang",
1834 title = "Enhancing systematic motion in molecular dynamics
1838 journal = "The Journal of Chemical Physics",
1841 pages = "9401--9410",
1842 keywords = "molecular dynamics method; argon; Lennard-Jones
1843 potential; crystallisation; liquid theory",
1844 URL = "http://link.aip.org/link/?JCP/110/9401/1",
1845 doi = "10.1063/1.478948",
1846 notes = "self guided md, sgmd, accelerated md, enhancing
1850 @Article{choudhary05,
1851 author = "Devashish Choudhary and Paulette Clancy",
1853 title = "Application of accelerated molecular dynamics schemes
1854 to the production of amorphous silicon",
1857 journal = "The Journal of Chemical Physics",
1863 keywords = "molecular dynamics method; silicon; glass structure;
1864 amorphous semiconductors",
1865 URL = "http://link.aip.org/link/?JCP/122/154509/1",
1866 doi = "10.1063/1.1878733",
1867 notes = "explanation of sgmd and hyper md, applied to amorphous
1872 author = "W. J. Taylor and T. Y. Tan and U. G{\"{o}}sele",
1874 title = "Carbon precipitation in silicon: Why is it so
1878 journal = "Applied Physics Letters",
1881 pages = "3336--3338",
1882 keywords = "SILICON; CARBON ADDITIONS; OXYGEN ADDITIONS; DOPED
1883 MATERIALS; PRECIPITATION; THERMODYNAMICS; SURFACE
1885 URL = "http://link.aip.org/link/?APL/62/3336/1",
1886 doi = "10.1063/1.109063",
1887 notes = "interfacial energy of cubic sic and si",
1890 @Article{chaussende08,
1891 title = "Prospects for 3{C}-Si{C} bulk crystal growth",
1892 journal = "Journal of Crystal Growth",
1897 note = "Proceedings of the E-MRS Conference, Symposium G -
1898 Substrates of Wide Bandgap Materials",
1900 doi = "DOI: 10.1016/j.jcrysgro.2007.11.140",
1901 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4R7J67S-F/2/e92fc194b652409f5b119393d608b082",
1902 author = "D. Chaussende and F. Mercier and A. Boulle and F.
1903 Conchon and M. Soueidan and G. Ferro and A. Mantzari
1904 and A. Andreadou and E. K. Polychroniadis and C.
1905 Balloud and S. Juillaguet and J. Camassel and M. Pons",
1906 notes = "3c-sic crystal growth, sic fabrication + links,
1911 title = "Forces in Molecules",
1912 author = "R. P. Feynman",
1913 journal = "Phys. Rev.",
1920 doi = "10.1103/PhysRev.56.340",
1921 publisher = "American Physical Society",
1922 notes = "hellmann feynman forces",
1926 title = "Bonding Arrangements at the $Si-Si{O}_{2}$ and
1927 $Si{C}-Si{O}_{2}$ Interfaces and a Possible Origin of
1928 their Contrasting Properties",
1929 author = "Ryszard Buczko and Stephen J. Pennycook and Sokrates
1931 journal = "Phys. Rev. Lett.",
1938 doi = "10.1103/PhysRevLett.84.943",
1939 publisher = "American Physical Society",
1940 notes = "si sio2 and sic sio2 interface",
1943 @Article{djurabekova08,
1944 title = "Atomistic simulation of the interface structure of Si
1945 nanocrystals embedded in amorphous silica",
1946 author = "Flyura Djurabekova and Kai Nordlund",
1947 journal = "Phys. Rev. B",
1954 doi = "10.1103/PhysRevB.77.115325",
1955 publisher = "American Physical Society",
1956 notes = "nc-si in sio2, interface energy, nc construction,
1957 angular distribution, coordination",
1961 author = "C. Wen and Y. M. Wang and W. Wan and F. H. Li and J.
1962 W. Liang and J. Zou",
1964 title = "Nature of interfacial defects and their roles in
1965 strain relaxation at highly lattice mismatched
1966 3{C}-Si{C}/Si (001) interface",
1969 journal = "Journal of Applied Physics",
1975 keywords = "anelastic relaxation; crystal structure; dislocations;
1976 elemental semiconductors; semiconductor growth;
1977 semiconductor thin films; silicon; silicon compounds;
1978 stacking faults; wide band gap semiconductors",
1979 URL = "http://link.aip.org/link/?JAP/106/073522/1",
1980 doi = "10.1063/1.3234380",
1981 notes = "sic/si interface, follow refs, tem image
1982 deconvolution, dislocation defects",
1985 @Article{kitabatake93,
1986 author = "Makoto Kitabatake and Masahiro Deguchi and Takashi
1989 title = "Simulations and experiments of Si{C} heteroepitaxial
1990 growth on Si(001) surface",
1993 journal = "Journal of Applied Physics",
1996 pages = "4438--4445",
1997 keywords = "SILICON CARBIDES; FILM GROWTH; SIMULATION; MOLECULAR
1998 BEAM EPITAXY; MOLECULAR DYNAMICS CALCULATIONS; SILICON;
1999 MICROSTRUCTURE; ULTRAVIOLET RADIATION; IRRADIATION",
2000 URL = "http://link.aip.org/link/?JAP/74/4438/1",
2001 doi = "10.1063/1.354385",
2002 notes = "mbe and md of sic growth on si, 4 to 5 shrinkage
2006 @Article{pizzagalli03,
2007 title = "Theoretical investigations of a highly mismatched
2008 interface: Si{C}/Si(001)",
2009 author = "Laurent Pizzagalli and Giancarlo Cicero and Alessandra
2011 journal = "Phys. Rev. B",
2018 doi = "10.1103/PhysRevB.68.195302",
2019 publisher = "American Physical Society",
2020 notes = "tersoff md and ab initio sic/si interface study",
2024 title = "Atomic configurations of dislocation core and twin
2025 boundaries in $ 3{C}-Si{C} $ studied by high-resolution
2026 electron microscopy",
2027 author = "C. Y. Tang and F. H. Li and R. Wang and J. Zou and X.
2028 H. Zheng and J. W. Liang",
2029 journal = "Phys. Rev. B",
2036 doi = "10.1103/PhysRevB.75.184103",
2037 publisher = "American Physical Society",
2038 notes = "hrem image deconvolution on 3c-sic on si, distinguish
2042 @Article{hornstra58,
2043 title = "Dislocations in the diamond lattice",
2044 journal = "Journal of Physics and Chemistry of Solids",
2051 doi = "DOI: 10.1016/0022-3697(58)90138-0",
2052 URL = "http://www.sciencedirect.com/science/article/B6TXR-46MMPHJ-10D/2/7176c01c29cd4e73faa26ab2aacdcea5",
2053 author = "J. Hornstra",
2054 notes = "dislocations in diamond lattice",
2057 @Article{eichhorn99,
2058 author = "F. Eichhorn and N. Schell and W. Matz and R.
2061 title = "Strain and Si{C} particle formation in silicon
2062 implanted with carbon ions of medium fluence studied by
2063 synchrotron x-ray diffraction",
2066 journal = "Journal of Applied Physics",
2069 pages = "4184--4187",
2070 keywords = "silicon; carbon; elemental semiconductors; chemical
2071 interdiffusion; ion implantation; X-ray diffraction;
2072 precipitation; semiconductor doping",
2073 URL = "http://link.aip.org/link/?JAP/86/4184/1",
2074 doi = "10.1063/1.371344",
2075 notes = "sic conversion by ibs, detected substitutional
2079 @Article{eichhorn02,
2080 author = "F. Eichhorn and N. Schell and A. M{\"{u}}cklich and H.
2081 Metzger and W. Matz and R. K{\"{o}}gler",
2083 title = "Structural relation between Si and Si{C} formed by
2084 carbon ion implantation",
2087 journal = "Journal of Applied Physics",
2090 pages = "1287--1292",
2091 keywords = "silicon compounds; wide band gap semiconductors; ion
2092 implantation; annealing; X-ray scattering; transmission
2093 electron microscopy",
2094 URL = "http://link.aip.org/link/?JAP/91/1287/1",
2095 doi = "10.1063/1.1428105",
2096 notes = "3c-sic alignement to si host in ibs depending on
2097 temperature, might explain c int to c sub trafo",
2101 author = "G Lucas and M Bertolus and L Pizzagalli",
2102 title = "An environment-dependent interatomic potential for
2103 silicon carbide: calculation of bulk properties,
2104 high-pressure phases, point and extended defects, and
2105 amorphous structures",
2106 journal = "Journal of Physics: Condensed Matter",
2110 URL = "http://stacks.iop.org/0953-8984/22/i=3/a=035802",
2116 author = "J Godet and L Pizzagalli and S Brochard and P
2118 title = "Comparison between classical potentials and ab initio
2119 methods for silicon under large shear",
2120 journal = "Journal of Physics: Condensed Matter",
2124 URL = "http://stacks.iop.org/0953-8984/15/i=41/a=004",
2126 notes = "comparison of empirical potentials, stillinger weber,
2127 edip, tersoff, ab initio",
2130 @Article{moriguchi98,
2131 title = "Verification of Tersoff's Potential for Static
2132 Structural Analysis of Solids of Group-{IV} Elements",
2133 author = "Koji Moriguchi and Akira Shintani",
2134 journal = "Japanese Journal of Applied Physics",
2136 number = "Part 1, No. 2",
2140 URL = "http://jjap.ipap.jp/link?JJAP/37/414/",
2141 doi = "10.1143/JJAP.37.414",
2142 publisher = "The Japan Society of Applied Physics",
2143 notes = "tersoff stringent test",
2146 @Article{holmstroem08,
2147 title = "Threshold defect production in silicon determined by
2148 density functional theory molecular dynamics
2150 author = "E. Holmstr{\"o}m and A. Kuronen and K. Nordlund",
2151 journal = "Phys. Rev. B",
2158 doi = "10.1103/PhysRevB.78.045202",
2159 publisher = "American Physical Society",
2160 notes = "threshold displacement comparison empirical and ab
2164 @Article{nordlund97,
2165 title = "Repulsive interatomic potentials calculated using
2166 Hartree-Fock and density-functional theory methods",
2167 journal = "Nuclear Instruments and Methods in Physics Research
2168 Section B: Beam Interactions with Materials and Atoms",
2175 doi = "DOI: 10.1016/S0168-583X(97)00447-3",
2176 URL = "http://www.sciencedirect.com/science/article/B6TJN-4CP0TGF-91/2/1a9100c0aae82d2d258fc83dfdba23c1",
2177 author = "K. Nordlund and N. Runeberg and D. Sundholm",
2178 notes = "repulsive ab initio potential",
2182 title = "Efficiency of ab-initio total energy calculations for
2183 metals and semiconductors using a plane-wave basis
2185 journal = "Computational Materials Science",
2192 doi = "DOI: 10.1016/0927-0256(96)00008-0",
2193 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74",
2194 author = "G. Kresse and J. Furthmüller",
2199 title = "Projector augmented-wave method",
2200 author = "P. E. Bl{\"o}chl",
2201 journal = "Phys. Rev. B",
2204 pages = "17953--17979",
2208 doi = "10.1103/PhysRevB.50.17953",
2209 publisher = "American Physical Society",
2210 notes = "paw method",
2214 title = "Norm-Conserving Pseudopotentials",
2215 author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
2216 journal = "Phys. Rev. Lett.",
2219 pages = "1494--1497",
2223 doi = "10.1103/PhysRevLett.43.1494",
2224 publisher = "American Physical Society",
2225 notes = "norm-conserving pseudopotentials",
2228 @Article{vanderbilt90,
2229 title = "Soft self-consistent pseudopotentials in a generalized
2230 eigenvalue formalism",
2231 author = "David Vanderbilt",
2232 journal = "Phys. Rev. B",
2235 pages = "7892--7895",
2239 doi = "10.1103/PhysRevB.41.7892",
2240 publisher = "American Physical Society",
2241 notes = "vasp pseudopotentials",
2245 title = "Accurate and simple density functional for the
2246 electronic exchange energy: Generalized gradient
2248 author = "John P. Perdew and Wang Yue",
2249 journal = "Phys. Rev. B",
2252 pages = "8800--8802",
2256 doi = "10.1103/PhysRevB.33.8800",
2257 publisher = "American Physical Society",
2258 notes = "rapid communication gga",
2262 title = "Generalized gradient approximations for exchange and
2263 correlation: {A} look backward and forward",
2264 journal = "Physica B: Condensed Matter",
2271 doi = "DOI: 10.1016/0921-4526(91)90409-8",
2272 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8GR9-3D/2/18e610a616e4d80b934079c89063ece7",
2273 author = "John P. Perdew",
2274 notes = "gga overview",
2278 title = "Atoms, molecules, solids, and surfaces: Applications
2279 of the generalized gradient approximation for exchange
2281 author = "John P. Perdew and J. A. Chevary and S. H. Vosko and
2282 Koblar A. Jackson and Mark R. Pederson and D. J. Singh
2283 and Carlos Fiolhais",
2284 journal = "Phys. Rev. B",
2287 pages = "6671--6687",
2291 doi = "10.1103/PhysRevB.46.6671",
2292 publisher = "American Physical Society",
2293 notes = "gga pw91 (as in vasp)",
2296 @Article{baldereschi73,
2297 title = "Mean-Value Point in the Brillouin Zone",
2298 author = "A. Baldereschi",
2299 journal = "Phys. Rev. B",
2302 pages = "5212--5215",
2306 doi = "10.1103/PhysRevB.7.5212",
2307 publisher = "American Physical Society",
2308 notes = "mean value k point",
2312 title = "Ab initio pseudopotential calculations of dopant
2314 journal = "Computational Materials Science",
2321 doi = "DOI: 10.1016/S0927-0256(98)00023-8",
2322 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VB7F2K-7/2/aa864582273be8e054300efb7bd16a1b",
2323 author = "Jing Zhu",
2324 keywords = "TED (transient enhanced diffusion)",
2325 keywords = "Boron dopant",
2326 keywords = "Carbon dopant",
2327 keywords = "Defect",
2328 keywords = "ab initio pseudopotential method",
2329 keywords = "Impurity cluster",
2330 notes = "binding of c to si interstitial, c in si defects",
2334 author = "A. Nejim and P. L. F. Hemment and J. Stoemenos",
2336 title = "Si{C} buried layer formation by ion beam synthesis at
2340 journal = "Applied Physics Letters",
2343 pages = "2646--2648",
2344 keywords = "SILICON; ION IMPLANTATION; CARBON IONS; SILICON
2345 CARBIDES; BURIED LAYERS; SYNTHESIS; KEV RANGE 100 --
2346 1000; CRYSTAL DEFECTS; MORPHOLOGY; RBS; TRANSMISSION
2347 ELECTRON MICROSCOPY",
2348 URL = "http://link.aip.org/link/?APL/66/2646/1",
2349 doi = "10.1063/1.113112",
2350 notes = "precipitation mechanism by substitutional carbon, si
2351 self interstitials react with further implanted c",
2355 author = "C. Guedj and M. W. Dashiell and L. Kulik and J.
2356 Kolodzey and A. Hairie",
2358 title = "Precipitation of beta-Si{C} in Si[sub 1 - y]{C}[sub y]
2362 journal = "Journal of Applied Physics",
2365 pages = "4631--4633",
2366 keywords = "silicon compounds; precipitation; localised modes;
2367 semiconductor epitaxial layers; infrared spectra;
2368 Fourier transform spectra; thermal stability;
2370 URL = "http://link.aip.org/link/?JAP/84/4631/1",
2371 doi = "10.1063/1.368703",
2372 notes = "coherent 3C-SiC, topotactic",
2376 author = "R Jones and B J Coomer and P R Briddon",
2377 title = "Quantum mechanical modelling of defects in
2379 journal = "Journal of Physics: Condensed Matter",
2383 URL = "http://stacks.iop.org/0953-8984/16/i=27/a=004",
2385 notes = "ab inito init, vibrational modes, c defect in si",