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 = "P. S. de Laplace",
75 title = "Th\'eorie analytique des probabilit\'es",
76 series = "Oeuvres Compl\`etes de Laplace",
78 publisher = "Gauthier-Villars",
83 author = "A. {Mattoni} and M. {Ippolito} and L. {Colombo}",
84 title = "{Atomistic modeling of brittleness in covalent
86 journal = "Phys. Rev. B",
92 doi = "10.1103/PhysRevB.76.224103",
93 notes = "adopted tersoff potential for Si, C, Ge ad SiC;
94 longe(r)-range-interactions, brittle propagation of
95 fracture, more available potentials, universal energy
96 relation (uer), minimum range model (mrm)",
100 title = "Comparative study of silicon empirical interatomic
102 author = "H. Balamane and T. Halicioglu and W. A. Tiller",
103 journal = "Phys. Rev. B",
106 pages = "2250--2279",
110 doi = "10.1103/PhysRevB.46.2250",
111 publisher = "American Physical Society",
112 notes = "comparison of classical potentials for si",
116 title = "Stress relaxation in $a-Si$ induced by ion
118 author = "H. M. Urbassek M. Koster",
119 journal = "Phys. Rev. B",
122 pages = "11219--11224",
126 doi = "10.1103/PhysRevB.62.11219",
127 publisher = "American Physical Society",
128 notes = "virial derivation for 3-body tersoff potential",
131 @Article{breadmore99,
132 title = "Direct simulation of ion-beam-induced stressing and
133 amorphization of silicon",
134 author = "N. Gr\o{}nbech-Jensen K. M. Beardmore",
135 journal = "Phys. Rev. B",
138 pages = "12610--12616",
142 doi = "10.1103/PhysRevB.60.12610",
143 publisher = "American Physical Society",
144 notes = "virial derivation for 3-body tersoff potential",
148 author = "Henri Moissan",
149 title = "Nouvelles recherches sur la météorité de Cañon
151 journal = "Comptes rendus de l'Académie des Sciences",
158 author = "Y. S. Park",
159 title = "Si{C} Materials and Devices",
160 publisher = "Academic Press",
161 address = "San Diego",
166 author = "Valeri F. Tsvetkov and R. C. Glass and D. Henshall and
167 Calvin H. Carter Jr. and D. Asbury",
168 title = "Si{C} Seeded Boule Growth",
169 journal = "Materials Science Forum",
173 notes = "modified lely process, micropipes",
177 title = "Computer {"}Experiments{"} on Classical Fluids. {I}.
178 Thermodynamical Properties of Lennard-Jones Molecules",
179 author = "Loup Verlet",
180 journal = "Phys. Rev.",
186 doi = "10.1103/PhysRev.159.98",
187 publisher = "American Physical Society",
188 notes = "velocity verlet integration algorithm equation of
192 @Article{berendsen84,
193 author = "H. J. C. Berendsen and J. P. M. Postma and W. F. van
194 Gunsteren and A. DiNola and J. R. Haak",
196 title = "Molecular dynamics with coupling to an external bath",
199 journal = "The Journal of Chemical Physics",
202 pages = "3684--3690",
203 keywords = "MOLECULAR DYNAMICS CALCULATION; TRANSPORT THEORY;
204 COMPUTERIZED SIMULATION; LIQUIDS; STRUCTURE FACTORS",
205 URL = "http://link.aip.org/link/?JCP/81/3684/1",
206 doi = "10.1063/1.448118",
207 notes = "berendsen thermostat barostat",
211 author = "Hanchen Huang and N M Ghoniem and J K Wong and M
213 title = "Molecular dynamics determination of defect energetics
214 in beta -Si{C} using three representative empirical
216 journal = "Modelling and Simulation in Materials Science and
221 URL = "http://stacks.iop.org/0965-0393/3/615",
222 notes = "comparison of tersoff, pearson and eam for defect
223 energetics in sic; (m)eam parameters for sic",
228 title = "Relationship between the embedded-atom method and
230 author = "Donald W. Brenner",
231 journal = "Phys. Rev. Lett.",
238 doi = "10.1103/PhysRevLett.63.1022",
239 publisher = "American Physical Society",
240 notes = "relation of tersoff and eam potential",
244 title = "Molecular-dynamics study of self-interstitials in
246 author = "Inder P. Batra and Farid F. Abraham and S. Ciraci",
247 journal = "Phys. Rev. B",
250 pages = "9552--9558",
254 doi = "10.1103/PhysRevB.35.9552",
255 publisher = "American Physical Society",
256 notes = "selft-interstitials in silicon, stillinger-weber,
257 calculation of defect formation energy, defect
262 title = "Extended interstitials in silicon and germanium",
263 author = "H. R. Schober",
264 journal = "Phys. Rev. B",
267 pages = "13013--13015",
271 doi = "10.1103/PhysRevB.39.13013",
272 publisher = "American Physical Society",
273 notes = "stillinger-weber silicon 110 stable and metastable
274 dumbbell configuration",
278 title = "Cascade overlap and amorphization in $3{C}-Si{C}:$
279 Defect accumulation, topological features, and
281 author = "F. Gao and W. J. Weber",
282 journal = "Phys. Rev. B",
289 doi = "10.1103/PhysRevB.66.024106",
290 publisher = "American Physical Society",
291 notes = "sic intro, si cascade in 3c-sic, amorphization,
292 tersoff modified, pair correlation of amorphous sic, md
296 @Article{devanathan98,
297 title = "Computer simulation of a 10 ke{V} Si displacement
299 journal = "Nuclear Instruments and Methods in Physics Research
300 Section B: Beam Interactions with Materials and Atoms",
306 doi = "DOI: 10.1016/S0168-583X(98)00084-6",
307 author = "R. Devanathan and W. J. Weber and T. Diaz de la
309 notes = "modified tersoff short range potential, ab initio
313 @Article{devanathan98_2,
314 title = "Displacement threshold energies in [beta]-Si{C}",
315 journal = "Journal of Nuclear Materials",
321 doi = "DOI: 10.1016/S0022-3115(97)00304-8",
322 author = "R. Devanathan and T. Diaz de la Rubia and W. J.
324 notes = "modified tersoff, ab initio, combined ab initio
328 @Article{kitabatake00,
329 title = "Si{C}/Si heteroepitaxial growth",
330 author = "M. Kitabatake",
331 journal = "Thin Solid Films",
336 notes = "md simulation, sic si heteroepitaxy, mbe",
340 title = "Intrinsic point defects in crystalline silicon:
341 Tight-binding molecular dynamics studies of
342 self-diffusion, interstitial-vacancy recombination, and
344 author = "M. Tang and L. Colombo and J. Zhu and T. Diaz de la
346 journal = "Phys. Rev. B",
349 pages = "14279--14289",
353 doi = "10.1103/PhysRevB.55.14279",
354 publisher = "American Physical Society",
355 notes = "si self interstitial, diffusion, tbmd",
359 title = "Barrier to Migration of the Silicon
361 author = "Y. Bar-Yam and J. D. Joannopoulos",
362 journal = "Phys. Rev. Lett.",
365 pages = "1129--1132",
369 doi = "10.1103/PhysRevLett.52.1129",
370 publisher = "American Physical Society",
371 notes = "si self-interstitial migration barrier",
375 title = "Tight-binding theory of native point defects in
377 author = "L. Colombo",
378 journal = "Annu. Rev. Mater. Res.",
383 doi = "10.1146/annurev.matsci.32.111601.103036",
384 publisher = "Annual Reviews",
385 notes = "si self interstitial, tbmd, virial stress",
388 @Article{al-mushadani03,
389 title = "Free-energy calculations of intrinsic point defects in
391 author = "O. K. Al-Mushadani and R. J. Needs",
392 journal = "Phys. Rev. B",
399 doi = "10.1103/PhysRevB.68.235205",
400 publisher = "American Physical Society",
401 notes = "formation energies of intrinisc point defects in
402 silicon, si self interstitials",
406 title = "Ab initio study of self-diffusion in silicon over a
407 wide temperature range: Point defect states and
408 migration mechanisms",
409 author = "Shangyi Ma and Shaoqing Wang",
410 journal = "Phys. Rev. B",
417 doi = "10.1103/PhysRevB.81.193203",
418 publisher = "American Physical Society",
419 notes = "si self interstitial diffusion + refs",
423 title = "Correlation between self-diffusion in Si and the
424 migration mechanisms of vacancies and
425 self-interstitials: An atomistic study",
426 author = "M. Posselt and F. Gao and H. Bracht",
427 journal = "Phys. Rev. B",
434 doi = "10.1103/PhysRevB.78.035208",
435 publisher = "American Physical Society",
436 notes = "si self-interstitial and vacancy diffusion, stillinger
441 title = "Ab initio and empirical-potential studies of defect
442 properties in $3{C}-Si{C}$",
443 author = "F. Gao and E. J. Bylaska and W. J. Weber and L. R.
445 journal = "Phys. Rev. B",
452 doi = "10.1103/PhysRevB.64.245208",
453 publisher = "American Physical Society",
454 notes = "defects in 3c-sic",
457 @Article{mattoni2002,
458 title = "Self-interstitial trapping by carbon complexes in
459 crystalline silicon",
460 author = "A. Mattoni and F. Bernardini and L. Colombo",
461 journal = "Phys. Rev. B",
468 doi = "10.1103/PhysRevB.66.195214",
469 publisher = "American Physical Society",
470 notes = "c in c-si, diffusion, interstitial configuration +
471 links, interaction of carbon and silicon interstitials,
472 tersoff suitability",
476 title = "Calculations of Silicon Self-Interstitial Defects",
477 author = "W.-K. Leung and R. J. Needs and G. Rajagopal and S.
479 journal = "Phys. Rev. Lett.",
482 pages = "2351--2354",
486 doi = "10.1103/PhysRevLett.83.2351",
487 publisher = "American Physical Society",
488 notes = "nice images of the defects, si defect overview +
493 title = "Identification of the migration path of interstitial
495 author = "R. B. Capaz and A. Dal Pino and J. D. Joannopoulos",
496 journal = "Phys. Rev. B",
499 pages = "7439--7442",
503 doi = "10.1103/PhysRevB.50.7439",
504 publisher = "American Physical Society",
505 notes = "carbon interstitial migration path shown, 001 c-si
510 title = "Ab initio investigation of carbon-related defects in
512 author = "A. Dal Pino and Andrew M. Rappe and J. D.
514 journal = "Phys. Rev. B",
517 pages = "12554--12557",
521 doi = "10.1103/PhysRevB.47.12554",
522 publisher = "American Physical Society",
523 notes = "c interstitials in crystalline silicon",
527 title = "Microscopic Theory of Atomic Diffusion Mechanisms in
529 author = "Roberto Car and Paul J. Kelly and Atsushi Oshiyama and
530 Sokrates T. Pantelides",
531 journal = "Phys. Rev. Lett.",
534 pages = "1814--1817",
538 doi = "10.1103/PhysRevLett.52.1814",
539 publisher = "American Physical Society",
540 notes = "microscopic theory diffusion silicon dft migration
545 title = "Unified Approach for Molecular Dynamics and
546 Density-Functional Theory",
547 author = "R. Car and M. Parrinello",
548 journal = "Phys. Rev. Lett.",
551 pages = "2471--2474",
555 doi = "10.1103/PhysRevLett.55.2471",
556 publisher = "American Physical Society",
557 notes = "car parrinello method, dft and md",
561 title = "Short-range order, bulk moduli, and physical trends in
562 c-$Si1-x$$Cx$ alloys",
563 author = "P. C. Kelires",
564 journal = "Phys. Rev. B",
567 pages = "8784--8787",
571 doi = "10.1103/PhysRevB.55.8784",
572 publisher = "American Physical Society",
573 notes = "c strained si, montecarlo md, bulk moduli, next
578 title = "Monte Carlo Studies of Ternary Semiconductor Alloys:
579 Application to the $Si1-x-yGexCy$ System",
580 author = "P. C. Kelires",
581 journal = "Phys. Rev. Lett.",
584 pages = "1114--1117",
588 doi = "10.1103/PhysRevLett.75.1114",
589 publisher = "American Physical Society",
590 notes = "mc md, strain compensation in si ge by c insertion",
594 title = "Low temperature electron irradiation of silicon
596 journal = "Solid State Communications",
603 doi = "DOI: 10.1016/0038-1098(70)90074-8",
604 URL = "http://www.sciencedirect.com/science/article/B6TVW-46MF8S4-156/2/5f4d9c189a3d97227fde9214195aa081",
605 author = "A. R. Bean and R. C. Newman",
609 title = "{EPR} Observation of the Isolated Interstitial Carbon
611 author = "G. D. Watkins and K. L. Brower",
612 journal = "Phys. Rev. Lett.",
615 pages = "1329--1332",
619 doi = "10.1103/PhysRevLett.36.1329",
620 publisher = "American Physical Society",
621 notes = "epr observations of 100 interstitial carbon atom in
626 title = "{EPR} identification of the single-acceptor state of
627 interstitial carbon in silicon",
628 author = "G. D. Watkins L. W. Song",
629 journal = "Phys. Rev. B",
632 pages = "5759--5764",
636 doi = "10.1103/PhysRevB.42.5759",
637 publisher = "American Physical Society",
638 notes = "carbon diffusion in silicon",
642 author = "A K Tipping and R C Newman",
643 title = "The diffusion coefficient of interstitial carbon in
645 journal = "Semiconductor Science and Technology",
649 URL = "http://stacks.iop.org/0268-1242/2/315",
651 notes = "diffusion coefficient of carbon interstitials in
656 title = "Carbon incorporation into Si at high concentrations by
657 ion implantation and solid phase epitaxy",
658 author = "J. W. Strane and S. R. Lee and H. J. Stein and S. T.
659 Picraux and J. K. Watanabe and J. W. Mayer",
660 journal = "J. Appl. Phys.",
665 doi = "10.1063/1.360806",
666 notes = "strained silicon, carbon supersaturation",
669 @Article{laveant2002,
670 title = "Epitaxy of carbon-rich silicon with {MBE}",
671 author = "P. Laveant and G. Gerth and P. Werner and U.
673 journal = "Materials Science and Engineering B",
677 keywords = "Growth; Epitaxy; MBE; Carbon; Silicon",
678 notes = "low c in si, tensile stress to compensate compressive
679 stress, avoid sic precipitation",
683 author = "P. Werner and S. Eichler and G. Mariani and R.
684 K{\"{o}}gler and W. Skorupa",
685 title = "Investigation of {C}[sub x]Si defects in {C} implanted
686 silicon by transmission electron microscopy",
689 journal = "Applied Physics Letters",
693 keywords = "silicon; ion implantation; carbon; crystal defects;
694 transmission electron microscopy; annealing; positron
695 annihilation; secondary ion mass spectroscopy; buried
696 layers; precipitation",
697 URL = "http://link.aip.org/link/?APL/70/252/1",
698 doi = "10.1063/1.118381",
699 notes = "si-c complexes, agglomerate, sic in si matrix, sic
703 @InProceedings{werner96,
704 author = "P. Werner and R. Koegler and W. Skorupa and D.
706 booktitle = "Ion Implantation Technology. Proceedings of the 11th
707 International Conference on",
708 title = "{TEM} investigation of {C}-Si defects in carbon
715 keywords = "beta;-SiC precipitates;30 s;700 to 1300 C;C
716 atom/radiation induced defect interaction;C depth
717 distribution;C precipitation;C-Si defects;C-Si
718 dimers;CZ Si;HREM;Si:C;TEM;buried layer morphology;high
719 energy ion implantation;ion implantation;metastable
720 agglomerates;microdefects;positron annihilation
721 spectroscopy;rapid thermal annealing;secondary ion mass
722 spectrometry;vacancy clusters;buried
723 layers;carbon;elemental semiconductors;impurity-defect
724 interactions;ion implantation;positron
725 annihilation;precipitation;rapid thermal
726 annealing;secondary ion mass
727 spectra;silicon;transmission electron
728 microscopy;vacancies (crystal);",
729 doi = "10.1109/IIT.1996.586497",
731 notes = "c-si agglomerates dumbbells",
735 author = "J. W. Strane and H. J. Stein and S. R. Lee and S. T.
736 Picraux and J. K. Watanabe and J. W. Mayer",
738 title = "Precipitation and relaxation in strained Si[sub 1 -
739 y]{C}[sub y]/Si heterostructures",
742 journal = "Journal of Applied Physics",
745 pages = "3656--3668",
746 keywords = "SILICON CARBIDES; SILICON; PRECIPITATION; STRAINS",
747 URL = "http://link.aip.org/link/?JAP/76/3656/1",
748 doi = "10.1063/1.357429",
749 notes = "strained si-c to 3c-sic, carbon nucleation + refs",
753 title = "Prospects for device implementation of wide band gap
755 author = "J. H. Edgar",
756 journal = "J. Mater. Res.",
761 doi = "10.1557/JMR.1992.0235",
762 notes = "properties wide band gap semiconductor, sic
766 @Article{zirkelbach2007,
767 title = "Monte Carlo simulation study of a selforganisation
768 process leading to ordered precipitate structures",
769 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
771 journal = "Nucl. Instr. and Meth. B",
778 doi = "doi:10.1016/j.nimb.2006.12.118",
779 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
783 @Article{zirkelbach2006,
784 title = "Monte-Carlo simulation study of the self-organization
785 of nanometric amorphous precipitates in regular arrays
786 during ion irradiation",
787 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
789 journal = "Nucl. Instr. and Meth. B",
796 doi = "doi:10.1016/j.nimb.2005.08.162",
797 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
801 @Article{zirkelbach2005,
802 title = "Modelling of a selforganization process leading to
803 periodic arrays of nanometric amorphous precipitates by
805 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
807 journal = "Comp. Mater. Sci.",
814 doi = "doi:10.1016/j.commatsci.2004.12.016",
815 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
820 title = "Controlling the density distribution of Si{C}
821 nanocrystals for the ion beam synthesis of buried Si{C}
823 journal = "Nuclear Instruments and Methods in Physics Research
824 Section B: Beam Interactions with Materials and Atoms",
831 doi = "DOI: 10.1016/S0168-583X(98)00598-9",
832 URL = "http://www.sciencedirect.com/science/article/B6TJN-3YMWWDY-1H/2/ad53e614f783b2a7474aecb936dd0169",
833 author = "J. K. N. Lindner and B. Stritzker",
834 notes = "two-step implantation process",
837 @Article{lindner99_2,
838 title = "Mechanisms in the ion beam synthesis of Si{C} layers
840 journal = "Nuclear Instruments and Methods in Physics Research
841 Section B: Beam Interactions with Materials and Atoms",
847 doi = "DOI: 10.1016/S0168-583X(98)00787-3",
848 URL = "http://www.sciencedirect.com/science/article/B6TJN-3XGFSSH-3H/2/17d138baa6db68cb279e6de9161e5f85",
849 author = "J. K. N. Lindner and B. Stritzker",
850 notes = "3c-sic precipitation model, c-si dimers (dumbbells)",
854 title = "Ion beam synthesis of buried Si{C} layers in silicon:
855 Basic physical processes",
856 journal = "Nuclear Instruments and Methods in Physics Research
857 Section B: Beam Interactions with Materials and Atoms",
864 doi = "DOI: 10.1016/S0168-583X(01)00504-3",
865 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KG96-8/2/f222574d8945c3fd7aaf9ae1efdd37b3",
866 author = "Jörg K. N. Lindner",
870 title = "High-dose carbon implantations into silicon:
871 fundamental studies for new technological tricks",
872 author = "J. K. N. Lindner",
873 journal = "Appl. Phys. A",
877 doi = "10.1007/s00339-002-2062-8",
878 notes = "ibs, burried sic layers",
882 title = "Ion beam synthesis of 3{C}-Si{C} layers in Si and its
883 application in buffer layer for Ga{N} epitaxial
885 journal = "Applied Surface Science",
890 note = "APHYS'03 Special Issue",
892 doi = "DOI: 10.1016/j.apsusc.2004.05.199",
893 URL = "http://www.sciencedirect.com/science/article/B6THY-4CTTNGX-B/2/d24ee637db87f3f1a6ef7fe6820f267c",
894 author = "Y. Ito and T. Yamauchi and A. Yamamoto and M. Sasase
895 and S. Nishio and K. Yasuda and Y. Ishigami",
896 notes = "gan on 3c-sic",
900 author = "B. J. Alder and T. E. Wainwright",
901 title = "Phase Transition for a Hard Sphere System",
904 journal = "The Journal of Chemical Physics",
907 pages = "1208--1209",
908 URL = "http://link.aip.org/link/?JCP/27/1208/1",
909 doi = "10.1063/1.1743957",
913 author = "B. J. Alder and T. E. Wainwright",
914 title = "Studies in Molecular Dynamics. {I}. General Method",
917 journal = "The Journal of Chemical Physics",
921 URL = "http://link.aip.org/link/?JCP/31/459/1",
922 doi = "10.1063/1.1730376",
925 @Article{tersoff_si1,
926 title = "New empirical model for the structural properties of
928 author = "J. Tersoff",
929 journal = "Phys. Rev. Lett.",
936 doi = "10.1103/PhysRevLett.56.632",
937 publisher = "American Physical Society",
940 @Article{tersoff_si2,
941 title = "New empirical approach for the structure and energy of
943 author = "J. Tersoff",
944 journal = "Phys. Rev. B",
947 pages = "6991--7000",
951 doi = "10.1103/PhysRevB.37.6991",
952 publisher = "American Physical Society",
955 @Article{tersoff_si3,
956 title = "Empirical interatomic potential for silicon with
957 improved elastic properties",
958 author = "J. Tersoff",
959 journal = "Phys. Rev. B",
962 pages = "9902--9905",
966 doi = "10.1103/PhysRevB.38.9902",
967 publisher = "American Physical Society",
971 title = "Empirical Interatomic Potential for Carbon, with
972 Applications to Amorphous Carbon",
973 author = "J. Tersoff",
974 journal = "Phys. Rev. Lett.",
977 pages = "2879--2882",
981 doi = "10.1103/PhysRevLett.61.2879",
982 publisher = "American Physical Society",
986 title = "Modeling solid-state chemistry: Interatomic potentials
987 for multicomponent systems",
988 author = "J. Tersoff",
989 journal = "Phys. Rev. B",
992 pages = "5566--5568",
996 doi = "10.1103/PhysRevB.39.5566",
997 publisher = "American Physical Society",
1001 title = "Carbon defects and defect reactions in silicon",
1002 author = "J. Tersoff",
1003 journal = "Phys. Rev. Lett.",
1006 pages = "1757--1760",
1010 doi = "10.1103/PhysRevLett.64.1757",
1011 publisher = "American Physical Society",
1015 title = "Point defects and dopant diffusion in silicon",
1016 author = "P. M. Fahey and P. B. Griffin and J. D. Plummer",
1017 journal = "Rev. Mod. Phys.",
1024 doi = "10.1103/RevModPhys.61.289",
1025 publisher = "American Physical Society",
1029 title = "Silicon carbide: synthesis and processing",
1030 journal = "Nuclear Instruments and Methods in Physics Research
1031 Section B: Beam Interactions with Materials and Atoms",
1036 note = "Radiation Effects in Insulators",
1038 doi = "DOI: 10.1016/0168-583X(96)00065-1",
1039 URL = "http://www.sciencedirect.com/science/article/B6TJN-3VXHNFT-C7/2/4216cb1ec9e422c22de5fed7360fb06e",
1040 author = "W. Wesch",
1044 author = "H. Morko\c{c} and S. Strite and G. B. Gao and M. E.
1045 Lin and B. Sverdlov and M. Burns",
1047 title = "Large-band-gap Si{C}, {III}-{V} nitride, and {II}-{VI}
1048 ZnSe-based semiconductor device technologies",
1051 journal = "Journal of Applied Physics",
1054 pages = "1363--1398",
1055 keywords = "SEMICONDUCTOR DEVICES; SILICON CARBIDES; GALLIUM
1056 NITRIDES; ZINC SELENIDES; SUBSTRATES; MOS JUNCTIONS;
1057 LASER MATERIALS; MATERIALS; REVIEWS; ENERGY GAP; THIN
1059 URL = "http://link.aip.org/link/?JAP/76/1363/1",
1060 doi = "10.1063/1.358463",
1064 author = "Noch Unbekannt",
1065 title = "How to find references",
1066 journal = "Journal of Applied References",
1073 title = "Atomistic simulation of thermomechanical properties of
1075 author = "Meijie Tang and Sidney Yip",
1076 journal = "Phys. Rev. B",
1079 pages = "15150--15159",
1082 doi = "10.1103/PhysRevB.52.15150",
1083 notes = "modified tersoff, scale cutoff with volume, promising
1084 tersoff reparametrization",
1085 publisher = "American Physical Society",
1089 title = "Silicon carbide as a new {MEMS} technology",
1090 journal = "Sensors and Actuators A: Physical",
1096 doi = "DOI: 10.1016/S0924-4247(99)00335-0",
1097 URL = "http://www.sciencedirect.com/science/article/B6THG-406VM55-13/2/75385a587669b215d9ef88029a93fd59",
1098 author = "Pasqualina M. Sarro",
1100 keywords = "Silicon carbide",
1101 keywords = "Micromachining",
1102 keywords = "Mechanical stress",
1106 title = "Status of silicon carbide (Si{C}) as a wide-bandgap
1107 semiconductor for high-temperature applications: {A}
1109 journal = "Solid-State Electronics",
1112 pages = "1409--1422",
1115 doi = "DOI: 10.1016/0038-1101(96)00045-7",
1116 URL = "http://www.sciencedirect.com/science/article/B6TY5-3VSR9J0-1/2/a871c11636e937dc45bfdf48e29f725b",
1117 author = "J. B. Casady and R. W. Johnson",
1120 @Article{giancarli98,
1121 title = "Design requirements for Si{C}/Si{C} composites
1122 structural material in fusion power reactor blankets",
1123 journal = "Fusion Engineering and Design",
1129 doi = "DOI: 10.1016/S0920-3796(97)00200-7",
1130 URL = "http://www.sciencedirect.com/science/article/B6V3C-3V8RYK8-T/2/16949194114900fd1330f79892d7a7be",
1131 author = "L. Giancarli and J. P. Bonal and A. Caso and G. Le
1132 Marois and N. B. Morley and J. F. Salavy",
1136 title = "Electrical and optical characterization of Si{C}",
1137 journal = "Physica B: Condensed Matter",
1143 doi = "DOI: 10.1016/0921-4526(93)90249-6",
1144 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8HRX-99/2/eab9398bf2bbf10df3ae42c2ab28a776",
1145 author = "G. Pensl and W. J. Choyke",
1149 title = "Investigation of growth processes of ingots of silicon
1150 carbide single crystals",
1151 journal = "Journal of Crystal Growth",
1156 notes = "modifief lely process",
1158 doi = "DOI: 10.1016/0022-0248(78)90169-0",
1159 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BY2NR-7S/2/fa6fee78ebd8322491f6366e72d5b6dc",
1160 author = "Yu. M. Tairov and V. F. Tsvetkov",
1164 author = "Shigehiro Nishino and J. Anthony Powell and Herbert A.
1167 title = "Production of large-area single-crystal wafers of
1168 cubic Si{C} for semiconductor devices",
1171 journal = "Applied Physics Letters",
1175 keywords = "silicon carbides; layers; chemical vapor deposition;
1177 URL = "http://link.aip.org/link/?APL/42/460/1",
1178 doi = "10.1063/1.93970",
1179 notes = "cvd of 3c-sic on si, sic buffer layer",
1183 author = "Shigehiro Nishino and Hajime Suhara and Hideyuki Ono
1184 and Hiroyuki Matsunami",
1186 title = "Epitaxial growth and electric characteristics of cubic
1190 journal = "Journal of Applied Physics",
1193 pages = "4889--4893",
1194 URL = "http://link.aip.org/link/?JAP/61/4889/1",
1195 doi = "10.1063/1.338355",
1196 notes = "cvd of 3c-sic on si, sic buffer layer, first time
1201 author = "J. Anthony Powell and Lawrence G. Matus and Maria A.
1203 title = "Growth and Characterization of Cubic Si{C}
1204 Single-Crystal Films on Si",
1207 journal = "Journal of The Electrochemical Society",
1210 pages = "1558--1565",
1211 keywords = "semiconductor materials; silicon compounds; carbon
1212 compounds; crystal morphology; electron mobility",
1213 URL = "http://link.aip.org/link/?JES/134/1558/1",
1214 doi = "10.1149/1.2100708",
1215 notes = "blue light emitting diodes (led)",
1219 author = "Tsunenobu Kimoto and Hironori Nishino and Woo Sik Yoo
1220 and Hiroyuki Matsunami",
1221 title = "Growth mechanism of 6{H}-Si{C} in step-controlled
1225 journal = "Journal of Applied Physics",
1229 keywords = "SILICON CARBIDES; EPITAXY; GROWTH RATE; TEMPERATURE
1230 RANGE 10004000 K; TWINNING; ACTIVATION ENERGY; CHEMICAL
1232 URL = "http://link.aip.org/link/?JAP/73/726/1",
1233 doi = "10.1063/1.353329",
1234 notes = "cvd of 6h-sic on 6h-sic, twinned 3c-sic",
1238 author = "J. A. Powell and D. J. Larkin and L. G. Matus and W.
1239 J. Choyke and J. L. Bradshaw and L. Henderson and M.
1240 Yoganathan and J. Yang and P. Pirouz",
1242 title = "Growth of improved quality 3{C}-Si{C} films on
1243 6{H}-Si{C} substrates",
1246 journal = "Applied Physics Letters",
1249 pages = "1353--1355",
1250 keywords = "SILICON CARBIDES; CHEMICAL VAPOR DEPOSITION; SORPTIVE
1251 PROPERTIES; PHOTOLUMINESCENCE; TRANSMISSION ELECTRON
1252 MICROSCOPY; DEFECT STRUCTURE; STACKING FAULTS; VAPOR
1254 URL = "http://link.aip.org/link/?APL/56/1353/1",
1255 doi = "10.1063/1.102512",
1256 notes = "cvd of 3c-sic on 6h-sic",
1260 author = "C. Yuan and A. J. Steckl and J. Chaudhuri and R.
1261 Thokala and M. J. Loboda",
1263 title = "Reduced temperature growth of crystalline 3{C}-Si{C}
1264 films on 6{H}-Si{C} by chemical vapor deposition from
1268 journal = "Journal of Applied Physics",
1271 pages = "1271--1273",
1272 keywords = "SILICON CARBIDES; THIN FILMS; CVD; EPITAXY; ABSORPTION
1273 EDGE; CRYSTAL STRUCTURE; STRAINS; DISLOCATIONS; XRD;
1275 URL = "http://link.aip.org/link/?JAP/78/1271/1",
1276 doi = "10.1063/1.360368",
1277 notes = "3c-sic on 6h-sic, cvd, reduced temperature",
1281 title = "Epitaxial growth of Si{C} thin films on Si-stabilized
1282 [alpha]-Si{C}(0001) at low temperatures by solid-source
1283 molecular beam epitaxy",
1284 journal = "Journal of Crystal Growth",
1290 doi = "DOI: 10.1016/0022-0248(95)00170-0",
1291 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3Y5MMXM-1N/2/65549019b878bf02d5ec645b7eea9e98",
1292 author = "A. Fissel and U. Kaiser and E. Ducke and B. Schröter
1294 notes = "solid source mbe of 3c-sic on si and 6h-sic",
1297 @Article{fissel95_apl,
1298 author = "A. Fissel and B. Schr{\"{o}}ter and W. Richter",
1300 title = "Low-temperature growth of Si{C} thin films on Si and
1301 6{H}--Si{C} by solid-source molecular beam epitaxy",
1304 journal = "Applied Physics Letters",
1307 pages = "3182--3184",
1308 keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
1310 URL = "http://link.aip.org/link/?APL/66/3182/1",
1311 doi = "10.1063/1.113716",
1312 notes = "mbe 3c-sic on si and 6h-sic",
1316 author = "J. A. Borders and S. T. Picraux and W. Beezhold",
1318 title = "{FORMATION} {OF} Si{C} {IN} {SILICON} {BY} {ION}
1322 journal = "Applied Physics Letters",
1326 URL = "http://link.aip.org/link/?APL/18/509/1",
1327 doi = "10.1063/1.1653516",
1328 notes = "first time sic by ibs, follow cites for precipitation
1333 author = "K. J. Reeson and P. L. F. Hemment and J. Stoemenos and
1334 J. Davis and G. E. Celler",
1336 title = "Formation of buried layers of beta-Si{C} using ion
1337 beam synthesis and incoherent lamp annealing",
1340 journal = "Applied Physics Letters",
1343 pages = "2242--2244",
1344 keywords = "SILICON CARBIDES; FILM GROWTH; SOLIDPHASE EPITAXY; ION
1345 IMPLANTATION; CARBON IONS; DOPING PROFILES; SYNTHESIS",
1346 URL = "http://link.aip.org/link/?APL/51/2242/1",
1347 doi = "10.1063/1.98953",
1348 notes = "nice tem images, sic by ibs",
1352 author = "R. I. Scace and G. A. Slack",
1354 title = "Solubility of Carbon in Silicon and Germanium",
1357 journal = "The Journal of Chemical Physics",
1360 pages = "1551--1555",
1361 URL = "http://link.aip.org/link/?JCP/30/1551/1",
1362 doi = "10.1063/1.1730236",
1363 notes = "solubility of c in c-si",
1367 author = "N. E. B. Cowern and A. Cacciato and J. S. Custer and
1368 F. W. Saris and W. Vandervorst",
1370 title = "Role of {C} and {B} clusters in transient diffusion of
1374 journal = "Applied Physics Letters",
1377 pages = "1150--1152",
1378 keywords = "ATOMIC CLUSTERS; BORON ADDITIONS; CRYSTAL DOPING;
1379 DIFFUSION; DOPED MATERIALS; IMPURITIES; INTERSTITIALS;
1381 URL = "http://link.aip.org/link/?APL/68/1150/1",
1382 doi = "10.1063/1.115706",
1383 notes = "suppression of transient enhanced diffusion (ted)",
1387 title = "Implantation and transient boron diffusion: the role
1388 of the silicon self-interstitial",
1389 journal = "Nuclear Instruments and Methods in Physics Research
1390 Section B: Beam Interactions with Materials and Atoms",
1395 note = "Selected Papers of the Tenth International Conference
1396 on Ion Implantation Technology (IIT '94)",
1398 doi = "DOI: 10.1016/0168-583X(94)00481-1",
1399 URL = "http://www.sciencedirect.com/science/article/B6TJN-40WKY1P-29/2/602c6e5b809221323d2d2968edd0a71c",
1400 author = "P. A. Stolk and H. -J. Gossmann and D. J. Eaglesham
1405 author = "P. A. Stolk and H.-J. Gossmann and D. J. Eaglesham and
1406 D. C. Jacobson and C. S. Rafferty and G. H. Gilmer and
1407 M. Jara\'{\i}z and J. M. Poate and H. S. Luftman and T.
1410 title = "Physical mechanisms of transient enhanced dopant
1411 diffusion in ion-implanted silicon",
1414 journal = "Journal of Applied Physics",
1417 pages = "6031--6050",
1418 URL = "http://link.aip.org/link/?JAP/81/6031/1",
1419 doi = "10.1063/1.364452",
1420 notes = "ted, transient enhanced diffusion, c silicon trap",
1424 author = "A. R. Powell and F. K. LeGoues and S. S. Iyer",
1426 title = "Formation of beta-Si{C} nanocrystals by the relaxation
1427 of Si[sub 1 - y]{C}[sub y] random alloy layers",
1430 journal = "Applied Physics Letters",
1434 keywords = "SILICON CARBIDES; NANOSTRUCTURES; DISPERSIONS;
1435 EPITAXIAL LAYERS; STRESS RELAXATION; ANNEALING;
1436 TEMPERATURE EFFECTS; PRECIPITATION; DISLOCATIONS;
1438 URL = "http://link.aip.org/link/?APL/64/324/1",
1439 doi = "10.1063/1.111195",
1440 notes = "beta sic nano crystals in si, mbe, annealing",
1444 author = "Richard A. Soref",
1446 title = "Optical band gap of the ternary semiconductor Si[sub 1
1447 - x - y]Ge[sub x]{C}[sub y]",
1450 journal = "Journal of Applied Physics",
1453 pages = "2470--2472",
1454 keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; ENERGY GAP;
1455 OPTICAL PROPERTIES; DIAMONDS; SEMICONDUCTOR ALLOYS;
1457 URL = "http://link.aip.org/link/?JAP/70/2470/1",
1458 doi = "10.1063/1.349403",
1459 notes = "band gap of strained si by c",
1463 author = "E Kasper",
1464 title = "Superlattices of group {IV} elements, a new
1465 possibility to produce direct band gap material",
1466 journal = "Physica Scripta",
1469 URL = "http://stacks.iop.org/1402-4896/T35/232",
1471 notes = "superlattices, convert indirect band gap into a
1476 author = "H. J. Osten and J. Griesche and S. Scalese",
1478 title = "Substitutional carbon incorporation in epitaxial
1479 Si[sub 1 - y]{C}[sub y] alloys on Si(001) grown by
1480 molecular beam epitaxy",
1483 journal = "Applied Physics Letters",
1487 keywords = "molecular beam epitaxial growth; semiconductor growth;
1488 wide band gap semiconductors; interstitials; silicon
1490 URL = "http://link.aip.org/link/?APL/74/836/1",
1491 doi = "10.1063/1.123384",
1492 notes = "substitutional c in si",
1495 @Article{hohenberg64,
1496 title = "Inhomogeneous Electron Gas",
1497 author = "P. Hohenberg and W. Kohn",
1498 journal = "Phys. Rev.",
1501 pages = "B864--B871",
1505 doi = "10.1103/PhysRev.136.B864",
1506 publisher = "American Physical Society",
1507 notes = "density functional theory, dft",
1511 title = "Self-Consistent Equations Including Exchange and
1512 Correlation Effects",
1513 author = "W. Kohn and L. J. Sham",
1514 journal = "Phys. Rev.",
1517 pages = "A1133--A1138",
1521 doi = "10.1103/PhysRev.140.A1133",
1522 publisher = "American Physical Society",
1523 notes = "dft, exchange and correlation",
1527 title = "Strain-stabilized highly concentrated pseudomorphic
1528 $Si1-x$$Cx$ layers in Si",
1529 author = "H. R{\"u}cker and M. Methfessel and E. Bugiel and H.
1531 journal = "Phys. Rev. Lett.",
1534 pages = "3578--3581",
1538 doi = "10.1103/PhysRevLett.72.3578",
1539 publisher = "American Physical Society",
1540 notes = "high c concentration in si, heterostructure, starined
1545 title = "Electron Transport Model for Strained Silicon-Carbon
1547 author = "Shu-Tong Chang and Chung-Yi Lin",
1548 journal = "Japanese Journal of Applied Physics",
1551 pages = "2257--2262",
1554 URL = "http://jjap.ipap.jp/link?JJAP/44/2257/",
1555 doi = "10.1143/JJAP.44.2257",
1556 publisher = "The Japan Society of Applied Physics",
1557 notes = "enhance of electron mobility in starined si",
1561 author = "H. J. Osten and P. Gaworzewski",
1563 title = "Charge transport in strained Si[sub 1 - y]{C}[sub y]
1564 and Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloys on
1568 journal = "Journal of Applied Physics",
1571 pages = "4977--4981",
1572 keywords = "silicon compounds; Ge-Si alloys; wide band gap
1573 semiconductors; semiconductor epitaxial layers; carrier
1574 density; Hall mobility; interstitials; defect states",
1575 URL = "http://link.aip.org/link/?JAP/82/4977/1",
1576 doi = "10.1063/1.366364",
1577 notes = "charge transport in strained si",
1581 title = "Carbon-mediated aggregation of self-interstitials in
1582 silicon: {A} large-scale molecular dynamics study",
1583 author = "Sumeet S. Kapur and Manish Prasad and Talid Sinno",
1584 journal = "Phys. Rev. B",
1591 doi = "10.1103/PhysRevB.69.155214",
1592 publisher = "American Physical Society",
1593 notes = "simulation using promising tersoff reparametrization",
1597 title = "Event-Based Relaxation of Continuous Disordered
1599 author = "G. T. Barkema and Normand Mousseau",
1600 journal = "Phys. Rev. Lett.",
1603 pages = "4358--4361",
1607 doi = "10.1103/PhysRevLett.77.4358",
1608 publisher = "American Physical Society",
1609 notes = "activation relaxation technique, art, speed up slow
1614 author = "E. Canc\`{e}s and F. Legoll and M.-C. Marinica and K.
1615 Minoukadeh and F. Willaime",
1617 title = "Some improvements of the activation-relaxation
1618 technique method for finding transition pathways on
1619 potential energy surfaces",
1622 journal = "The Journal of Chemical Physics",
1628 keywords = "eigenvalues and eigenfunctions; iron; potential energy
1629 surfaces; vacancies (crystal)",
1630 URL = "http://link.aip.org/link/?JCP/130/114711/1",
1631 doi = "10.1063/1.3088532",
1632 notes = "improvements to art, refs for methods to find
1633 transition pathways",
1636 @Article{parrinello81,
1637 author = "M. Parrinello and A. Rahman",
1639 title = "Polymorphic transitions in single crystals: {A} new
1640 molecular dynamics method",
1643 journal = "Journal of Applied Physics",
1646 pages = "7182--7190",
1647 keywords = "MONOCRYSTALS; PHASE TRANSFORMATIONS; STRUCTURAL
1648 MODELS; DYNAMICS; THEORETICAL DATA; STRESSES;
1649 CONFIGURATION; LAGRANGE EQUATIONS; SIZE; NICKEL;
1650 COMPRESSION; TENSILE PROPERTIES; COMPARATIVE
1651 EVALUATIONS; STRAINS; CUBIC LATTICES; HCP LATTICES;
1653 URL = "http://link.aip.org/link/?JAP/52/7182/1",
1654 doi = "10.1063/1.328693",
1657 @Article{stillinger85,
1658 title = "Computer simulation of local order in condensed phases
1660 author = "Frank H. Stillinger and Thomas A. Weber",
1661 journal = "Phys. Rev. B",
1664 pages = "5262--5271",
1668 doi = "10.1103/PhysRevB.31.5262",
1669 publisher = "American Physical Society",
1673 title = "Empirical potential for hydrocarbons for use in
1674 simulating the chemical vapor deposition of diamond
1676 author = "Donald W. Brenner",
1677 journal = "Phys. Rev. B",
1680 pages = "9458--9471",
1684 doi = "10.1103/PhysRevB.42.9458",
1685 publisher = "American Physical Society",
1686 notes = "brenner hydro carbons",
1690 title = "Modeling of Covalent Bonding in Solids by Inversion of
1691 Cohesive Energy Curves",
1692 author = "Martin Z. Bazant and Efthimios Kaxiras",
1693 journal = "Phys. Rev. Lett.",
1696 pages = "4370--4373",
1700 doi = "10.1103/PhysRevLett.77.4370",
1701 publisher = "American Physical Society",
1702 notes = "first si edip",
1706 title = "Environment-dependent interatomic potential for bulk
1708 author = "Martin Z. Bazant and Efthimios Kaxiras and J. F.
1710 journal = "Phys. Rev. B",
1713 pages = "8542--8552",
1717 doi = "10.1103/PhysRevB.56.8542",
1718 publisher = "American Physical Society",
1719 notes = "second si edip",
1723 title = "Interatomic potential for silicon defects and
1725 author = "Jo\~ao F. Justo and Martin Z. Bazant and Efthimios
1726 Kaxiras and V. V. Bulatov and Sidney Yip",
1727 journal = "Phys. Rev. B",
1730 pages = "2539--2550",
1734 doi = "10.1103/PhysRevB.58.2539",
1735 publisher = "American Physical Society",
1736 notes = "latest si edip, good dislocation explanation",
1740 title = "{PARCAS} molecular dynamics code",
1741 author = "K. Nordlund",
1746 title = "Hyperdynamics: Accelerated Molecular Dynamics of
1748 author = "Arthur F. Voter",
1749 journal = "Phys. Rev. Lett.",
1752 pages = "3908--3911",
1756 doi = "10.1103/PhysRevLett.78.3908",
1757 publisher = "American Physical Society",
1758 notes = "hyperdynamics, accelerated md",
1762 author = "Arthur F. Voter",
1764 title = "A method for accelerating the molecular dynamics
1765 simulation of infrequent events",
1768 journal = "The Journal of Chemical Physics",
1771 pages = "4665--4677",
1772 keywords = "COMPUTERIZED SIMULATION; NICKEL; DIFFUSION; ATOM
1773 TRANSPORT; MOLECULAR ORBITAL METHOD; POTENTIAL ENERGY;
1774 SURFACE POTENTIAL; MOLECULAR DYNAMICS METHOD; potential
1775 energy functions; surface diffusion; reaction kinetics
1776 theory; potential energy surfaces",
1777 URL = "http://link.aip.org/link/?JCP/106/4665/1",
1778 doi = "10.1063/1.473503",
1779 notes = "improved hyperdynamics md",
1782 @Article{sorensen2000,
1783 author = "Mads R. S\o rensen and Arthur F. Voter",
1785 title = "Temperature-accelerated dynamics for simulation of
1789 journal = "The Journal of Chemical Physics",
1792 pages = "9599--9606",
1793 keywords = "SOLID STATE PHYSICS; SIMULATION; DIFFUSION; SURFACES;
1794 MOLECULAR DYNAMICS METHOD; surface diffusion",
1795 URL = "http://link.aip.org/link/?JCP/112/9599/1",
1796 doi = "10.1063/1.481576",
1797 notes = "temperature accelerated dynamics, tad",
1801 title = "Parallel replica method for dynamics of infrequent
1803 author = "Arthur F. Voter",
1804 journal = "Phys. Rev. B",
1807 pages = "R13985--R13988",
1811 doi = "10.1103/PhysRevB.57.R13985",
1812 publisher = "American Physical Society",
1813 notes = "parallel replica method, accelerated md",
1817 author = "Xiongwu Wu and Shaomeng Wang",
1819 title = "Enhancing systematic motion in molecular dynamics
1823 journal = "The Journal of Chemical Physics",
1826 pages = "9401--9410",
1827 keywords = "molecular dynamics method; argon; Lennard-Jones
1828 potential; crystallisation; liquid theory",
1829 URL = "http://link.aip.org/link/?JCP/110/9401/1",
1830 doi = "10.1063/1.478948",
1831 notes = "self guided md, sgmd, accelerated md, enhancing
1835 @Article{choudhary05,
1836 author = "Devashish Choudhary and Paulette Clancy",
1838 title = "Application of accelerated molecular dynamics schemes
1839 to the production of amorphous silicon",
1842 journal = "The Journal of Chemical Physics",
1848 keywords = "molecular dynamics method; silicon; glass structure;
1849 amorphous semiconductors",
1850 URL = "http://link.aip.org/link/?JCP/122/154509/1",
1851 doi = "10.1063/1.1878733",
1852 notes = "explanation of sgmd and hyper md, applied to amorphous
1857 author = "W. J. Taylor and T. Y. Tan and U. G{\"{o}}sele",
1859 title = "Carbon precipitation in silicon: Why is it so
1863 journal = "Applied Physics Letters",
1866 pages = "3336--3338",
1867 keywords = "SILICON; CARBON ADDITIONS; OXYGEN ADDITIONS; DOPED
1868 MATERIALS; PRECIPITATION; THERMODYNAMICS; SURFACE
1870 URL = "http://link.aip.org/link/?APL/62/3336/1",
1871 doi = "10.1063/1.109063",
1872 notes = "interfacial energy of cubic sic and si",
1875 @Article{chaussende08,
1876 title = "Prospects for 3{C}-Si{C} bulk crystal growth",
1877 journal = "Journal of Crystal Growth",
1882 note = "Proceedings of the E-MRS Conference, Symposium G -
1883 Substrates of Wide Bandgap Materials",
1885 doi = "DOI: 10.1016/j.jcrysgro.2007.11.140",
1886 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4R7J67S-F/2/e92fc194b652409f5b119393d608b082",
1887 author = "D. Chaussende and F. Mercier and A. Boulle and F.
1888 Conchon and M. Soueidan and G. Ferro and A. Mantzari
1889 and A. Andreadou and E. K. Polychroniadis and C.
1890 Balloud and S. Juillaguet and J. Camassel and M. Pons",
1891 notes = "3c-sic crystal growth, sic fabrication + links,
1896 title = "Forces in Molecules",
1897 author = "R. P. Feynman",
1898 journal = "Phys. Rev.",
1905 doi = "10.1103/PhysRev.56.340",
1906 publisher = "American Physical Society",
1907 notes = "hellmann feynman forces",
1911 title = "Bonding Arrangements at the $Si-Si{O}_{2}$ and
1912 $Si{C}-Si{O}_{2}$ Interfaces and a Possible Origin of
1913 their Contrasting Properties",
1914 author = "Ryszard Buczko and Stephen J. Pennycook and Sokrates
1916 journal = "Phys. Rev. Lett.",
1923 doi = "10.1103/PhysRevLett.84.943",
1924 publisher = "American Physical Society",
1925 notes = "si sio2 and sic sio2 interface",
1928 @Article{djurabekova08,
1929 title = "Atomistic simulation of the interface structure of Si
1930 nanocrystals embedded in amorphous silica",
1931 author = "Flyura Djurabekova and Kai Nordlund",
1932 journal = "Phys. Rev. B",
1939 doi = "10.1103/PhysRevB.77.115325",
1940 publisher = "American Physical Society",
1941 notes = "nc-si in sio2, interface energy, nc construction,
1942 angular distribution, coordination",
1946 author = "C. Wen and Y. M. Wang and W. Wan and F. H. Li and J.
1947 W. Liang and J. Zou",
1949 title = "Nature of interfacial defects and their roles in
1950 strain relaxation at highly lattice mismatched
1951 3{C}-Si{C}/Si (001) interface",
1954 journal = "Journal of Applied Physics",
1960 keywords = "anelastic relaxation; crystal structure; dislocations;
1961 elemental semiconductors; semiconductor growth;
1962 semiconductor thin films; silicon; silicon compounds;
1963 stacking faults; wide band gap semiconductors",
1964 URL = "http://link.aip.org/link/?JAP/106/073522/1",
1965 doi = "10.1063/1.3234380",
1966 notes = "sic/si interface, follow refs, tem image
1967 deconvolution, dislocation defects",
1970 @Article{kitabatake93,
1971 author = "Makoto Kitabatake and Masahiro Deguchi and Takashi
1974 title = "Simulations and experiments of Si{C} heteroepitaxial
1975 growth on Si(001) surface",
1978 journal = "Journal of Applied Physics",
1981 pages = "4438--4445",
1982 keywords = "SILICON CARBIDES; FILM GROWTH; SIMULATION; MOLECULAR
1983 BEAM EPITAXY; MOLECULAR DYNAMICS CALCULATIONS; SILICON;
1984 MICROSTRUCTURE; ULTRAVIOLET RADIATION; IRRADIATION",
1985 URL = "http://link.aip.org/link/?JAP/74/4438/1",
1986 doi = "10.1063/1.354385",
1987 notes = "mbe and md of sic growth on si, 4 to 5 shrinkage
1991 @Article{pizzagalli03,
1992 title = "Theoretical investigations of a highly mismatched
1993 interface: Si{C}/Si(001)",
1994 author = "Laurent Pizzagalli and Giancarlo Cicero and Alessandra
1996 journal = "Phys. Rev. B",
2003 doi = "10.1103/PhysRevB.68.195302",
2004 publisher = "American Physical Society",
2005 notes = "tersoff md and ab initio sic/si interface study",
2009 title = "Atomic configurations of dislocation core and twin
2010 boundaries in $ 3{C}-Si{C} $ studied by high-resolution
2011 electron microscopy",
2012 author = "C. Y. Tang and F. H. Li and R. Wang and J. Zou and X.
2013 H. Zheng and J. W. Liang",
2014 journal = "Phys. Rev. B",
2021 doi = "10.1103/PhysRevB.75.184103",
2022 publisher = "American Physical Society",
2023 notes = "hrem image deconvolution on 3c-sic on si, distinguish
2027 @Article{hornstra58,
2028 title = "Dislocations in the diamond lattice",
2029 journal = "Journal of Physics and Chemistry of Solids",
2036 doi = "DOI: 10.1016/0022-3697(58)90138-0",
2037 URL = "http://www.sciencedirect.com/science/article/B6TXR-46MMPHJ-10D/2/7176c01c29cd4e73faa26ab2aacdcea5",
2038 author = "J. Hornstra",
2039 notes = "dislocations in diamond lattice",
2042 @Article{eichhorn99,
2043 author = "F. Eichhorn and N. Schell and W. Matz and R.
2046 title = "Strain and Si{C} particle formation in silicon
2047 implanted with carbon ions of medium fluence studied by
2048 synchrotron x-ray diffraction",
2051 journal = "Journal of Applied Physics",
2054 pages = "4184--4187",
2055 keywords = "silicon; carbon; elemental semiconductors; chemical
2056 interdiffusion; ion implantation; X-ray diffraction;
2057 precipitation; semiconductor doping",
2058 URL = "http://link.aip.org/link/?JAP/86/4184/1",
2059 doi = "10.1063/1.371344",
2060 notes = "sic conversion by ibs, detected substitutional
2064 @Article{eichhorn02,
2065 author = "F. Eichhorn and N. Schell and A. M{\"{u}}cklich and H.
2066 Metzger and W. Matz and R. K{\"{o}}gler",
2068 title = "Structural relation between Si and Si{C} formed by
2069 carbon ion implantation",
2072 journal = "Journal of Applied Physics",
2075 pages = "1287--1292",
2076 keywords = "silicon compounds; wide band gap semiconductors; ion
2077 implantation; annealing; X-ray scattering; transmission
2078 electron microscopy",
2079 URL = "http://link.aip.org/link/?JAP/91/1287/1",
2080 doi = "10.1063/1.1428105",
2081 notes = "3c-sic alignement to si host in ibs depending on
2082 temperature, might explain c int to c sub trafo",
2086 author = "G Lucas and M Bertolus and L Pizzagalli",
2087 title = "An environment-dependent interatomic potential for
2088 silicon carbide: calculation of bulk properties,
2089 high-pressure phases, point and extended defects, and
2090 amorphous structures",
2091 journal = "Journal of Physics: Condensed Matter",
2095 URL = "http://stacks.iop.org/0953-8984/22/i=3/a=035802",
2101 author = "J Godet and L Pizzagalli and S Brochard and P
2103 title = "Comparison between classical potentials and ab initio
2104 methods for silicon under large shear",
2105 journal = "Journal of Physics: Condensed Matter",
2109 URL = "http://stacks.iop.org/0953-8984/15/i=41/a=004",
2111 notes = "comparison of empirical potentials, stillinger weber,
2112 edip, tersoff, ab initio",
2115 @Article{moriguchi98,
2116 title = "Verification of Tersoff's Potential for Static
2117 Structural Analysis of Solids of Group-{IV} Elements",
2118 author = "Koji Moriguchi and Akira Shintani",
2119 journal = "Japanese Journal of Applied Physics",
2121 number = "Part 1, No. 2",
2125 URL = "http://jjap.ipap.jp/link?JJAP/37/414/",
2126 doi = "10.1143/JJAP.37.414",
2127 publisher = "The Japan Society of Applied Physics",
2128 notes = "tersoff stringent test",
2131 @Article{holmstroem08,
2132 title = "Threshold defect production in silicon determined by
2133 density functional theory molecular dynamics
2135 author = "E. Holmstr{\"o}m and A. Kuronen and K. Nordlund",
2136 journal = "Phys. Rev. B",
2143 doi = "10.1103/PhysRevB.78.045202",
2144 publisher = "American Physical Society",
2145 notes = "threshold displacement comparison empirical and ab
2149 @Article{nordlund97,
2150 title = "Repulsive interatomic potentials calculated using
2151 Hartree-Fock and density-functional theory methods",
2152 journal = "Nuclear Instruments and Methods in Physics Research
2153 Section B: Beam Interactions with Materials and Atoms",
2160 doi = "DOI: 10.1016/S0168-583X(97)00447-3",
2161 URL = "http://www.sciencedirect.com/science/article/B6TJN-4CP0TGF-91/2/1a9100c0aae82d2d258fc83dfdba23c1",
2162 author = "K. Nordlund and N. Runeberg and D. Sundholm",
2163 notes = "repulsive ab initio potential",
2167 title = "Efficiency of ab-initio total energy calculations for
2168 metals and semiconductors using a plane-wave basis
2170 journal = "Computational Materials Science",
2177 doi = "DOI: 10.1016/0927-0256(96)00008-0",
2178 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74",
2179 author = "G. Kresse and J. Furthmüller",
2184 title = "Projector augmented-wave method",
2185 author = "P. E. Bl{\"o}chl",
2186 journal = "Phys. Rev. B",
2189 pages = "17953--17979",
2193 doi = "10.1103/PhysRevB.50.17953",
2194 publisher = "American Physical Society",
2195 notes = "paw method",
2199 title = "Norm-Conserving Pseudopotentials",
2200 author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
2201 journal = "Phys. Rev. Lett.",
2204 pages = "1494--1497",
2208 doi = "10.1103/PhysRevLett.43.1494",
2209 publisher = "American Physical Society",
2210 notes = "norm-conserving pseudopotentials",
2213 @Article{vanderbilt90,
2214 title = "Soft self-consistent pseudopotentials in a generalized
2215 eigenvalue formalism",
2216 author = "David Vanderbilt",
2217 journal = "Phys. Rev. B",
2220 pages = "7892--7895",
2224 doi = "10.1103/PhysRevB.41.7892",
2225 publisher = "American Physical Society",
2226 notes = "vasp pseudopotentials",
2230 title = "Accurate and simple density functional for the
2231 electronic exchange energy: Generalized gradient
2233 author = "John P. Perdew and Wang Yue",
2234 journal = "Phys. Rev. B",
2237 pages = "8800--8802",
2241 doi = "10.1103/PhysRevB.33.8800",
2242 publisher = "American Physical Society",
2243 notes = "rapid communication gga",
2247 title = "Generalized gradient approximations for exchange and
2248 correlation: {A} look backward and forward",
2249 journal = "Physica B: Condensed Matter",
2256 doi = "DOI: 10.1016/0921-4526(91)90409-8",
2257 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8GR9-3D/2/18e610a616e4d80b934079c89063ece7",
2258 author = "John P. Perdew",
2259 notes = "gga overview",
2263 title = "Atoms, molecules, solids, and surfaces: Applications
2264 of the generalized gradient approximation for exchange
2266 author = "John P. Perdew and J. A. Chevary and S. H. Vosko and
2267 Koblar A. Jackson and Mark R. Pederson and D. J. Singh
2268 and Carlos Fiolhais",
2269 journal = "Phys. Rev. B",
2272 pages = "6671--6687",
2276 doi = "10.1103/PhysRevB.46.6671",
2277 publisher = "American Physical Society",
2278 notes = "gga pw91 (as in vasp)",