+ year = "1985",
+ month = apr,
+ doi = "10.1103/PhysRevB.31.5262",
+ publisher = "American Physical Society",
+}
+
+@Article{brenner90,
+ title = "Empirical potential for hydrocarbons for use in
+ simulating the chemical vapor deposition of diamond
+ films",
+ author = "Donald W. Brenner",
+ journal = "Phys. Rev. B",
+ volume = "42",
+ number = "15",
+ pages = "9458--9471",
+ numpages = "13",
+ year = "1990",
+ month = nov,
+ doi = "10.1103/PhysRevB.42.9458",
+ publisher = "American Physical Society",
+ notes = "brenner hydro carbons",
+}
+
+@Article{bazant96,
+ title = "Modeling of Covalent Bonding in Solids by Inversion of
+ Cohesive Energy Curves",
+ author = "Martin Z. Bazant and Efthimios Kaxiras",
+ journal = "Phys. Rev. Lett.",
+ volume = "77",
+ number = "21",
+ pages = "4370--4373",
+ numpages = "3",
+ year = "1996",
+ month = nov,
+ doi = "10.1103/PhysRevLett.77.4370",
+ publisher = "American Physical Society",
+ notes = "first si edip",
+}
+
+@Article{bazant97,
+ title = "Environment-dependent interatomic potential for bulk
+ silicon",
+ author = "Martin Z. Bazant and Efthimios Kaxiras and J. F.
+ Justo",
+ journal = "Phys. Rev. B",
+ volume = "56",
+ number = "14",
+ pages = "8542--8552",
+ numpages = "10",
+ year = "1997",
+ month = oct,
+ doi = "10.1103/PhysRevB.56.8542",
+ publisher = "American Physical Society",
+ notes = "second si edip",
+}
+
+@Article{justo98,
+ title = "Interatomic potential for silicon defects and
+ disordered phases",
+ author = "Jo\tilde{a}o F. Justo and Martin Z. Bazant and
+ Efthimios Kaxiras and V. V. Bulatov and Sidney Yip",
+ journal = "Phys. Rev. B",
+ volume = "58",
+ number = "5",
+ pages = "2539--2550",
+ numpages = "11",
+ year = "1998",
+ month = aug,
+ doi = "10.1103/PhysRevB.58.2539",
+ publisher = "American Physical Society",
+ notes = "latest si edip, good dislocation explanation",
+}
+
+@Article{parcas_md,
+ title = "{PARCAS} molecular dynamics code",
+ author = "K. Nordlund",
+ year = "2008",
+}
+
+@Article{voter97,
+ title = "Hyperdynamics: Accelerated Molecular Dynamics of
+ Infrequent Events",
+ author = "Arthur F. Voter",
+ journal = "Phys. Rev. Lett.",
+ volume = "78",
+ number = "20",
+ pages = "3908--3911",
+ numpages = "3",
+ year = "1997",
+ month = may,
+ doi = "10.1103/PhysRevLett.78.3908",
+ publisher = "American Physical Society",
+ notes = "hyperdynamics, accelerated md",
+}
+
+@Article{voter97_2,
+ author = "Arthur F. Voter",
+ collaboration = "",
+ title = "A method for accelerating the molecular dynamics
+ simulation of infrequent events",
+ publisher = "AIP",
+ year = "1997",
+ journal = "The Journal of Chemical Physics",
+ volume = "106",
+ number = "11",
+ pages = "4665--4677",
+ keywords = "COMPUTERIZED SIMULATION; NICKEL; DIFFUSION; ATOM
+ TRANSPORT; MOLECULAR ORBITAL METHOD; POTENTIAL ENERGY;
+ SURFACE POTENTIAL; MOLECULAR DYNAMICS METHOD; potential
+ energy functions; surface diffusion; reaction kinetics
+ theory; potential energy surfaces",
+ URL = "http://link.aip.org/link/?JCP/106/4665/1",
+ doi = "10.1063/1.473503",
+ notes = "improved hyperdynamics md",
+}
+
+@Article{sorensen2000,
+ author = "Mads R. S\o rensen and Arthur F. Voter",
+ collaboration = "",
+ title = "Temperature-accelerated dynamics for simulation of
+ infrequent events",
+ publisher = "AIP",
+ year = "2000",
+ journal = "The Journal of Chemical Physics",
+ volume = "112",
+ number = "21",
+ pages = "9599--9606",
+ keywords = "SOLID STATE PHYSICS; SIMULATION; DIFFUSION; SURFACES;
+ MOLECULAR DYNAMICS METHOD; surface diffusion",
+ URL = "http://link.aip.org/link/?JCP/112/9599/1",
+ doi = "10.1063/1.481576",
+ notes = "temperature accelerated dynamics, tad",
+}
+
+@Article{voter98,
+ title = "Parallel replica method for dynamics of infrequent
+ events",
+ author = "Arthur F. Voter",
+ journal = "Phys. Rev. B",
+ volume = "57",
+ number = "22",
+ pages = "R13985--R13988",
+ numpages = "3",
+ year = "1998",
+ month = jun,
+ doi = "10.1103/PhysRevB.57.R13985",
+ publisher = "American Physical Society",
+ notes = "parallel replica method, accelerated md",
+}
+
+@Article{wu99,
+ author = "Xiongwu Wu and Shaomeng Wang",
+ collaboration = "",
+ title = "Enhancing systematic motion in molecular dynamics
+ simulation",
+ publisher = "AIP",
+ year = "1999",
+ journal = "The Journal of Chemical Physics",
+ volume = "110",
+ number = "19",
+ pages = "9401--9410",
+ keywords = "molecular dynamics method; argon; Lennard-Jones
+ potential; crystallisation; liquid theory",
+ URL = "http://link.aip.org/link/?JCP/110/9401/1",
+ doi = "10.1063/1.478948",
+ notes = "self guided md, sgmd, accelerated md, enhancing
+ systematic motion",
+}
+
+@Article{choudhary05,
+ author = "Devashish Choudhary and Paulette Clancy",
+ collaboration = "",
+ title = "Application of accelerated molecular dynamics schemes
+ to the production of amorphous silicon",
+ publisher = "AIP",
+ year = "2005",
+ journal = "The Journal of Chemical Physics",
+ volume = "122",
+ number = "15",
+ eid = "154509",
+ numpages = "8",
+ pages = "154509",
+ keywords = "molecular dynamics method; silicon; glass structure;
+ amorphous semiconductors",
+ URL = "http://link.aip.org/link/?JCP/122/154509/1",
+ doi = "10.1063/1.1878733",
+ notes = "explanation of sgmd and hyper md, applied to amorphous
+ silicon",
+}
+
+@Article{taylor93,
+ author = "W. J. Taylor and T. Y. Tan and U. G{\"{o}}sele",
+ collaboration = "",
+ title = "Carbon precipitation in silicon: Why is it so
+ difficult?",
+ publisher = "AIP",
+ year = "1993",
+ journal = "Applied Physics Letters",
+ volume = "62",
+ number = "25",
+ pages = "3336--3338",
+ keywords = "SILICON; CARBON ADDITIONS; OXYGEN ADDITIONS; DOPED
+ MATERIALS; PRECIPITATION; THERMODYNAMICS; SURFACE
+ ENERGY",
+ URL = "http://link.aip.org/link/?APL/62/3336/1",
+ doi = "10.1063/1.109063",
+ notes = "interfacial energy of cubic sic and si",
+}
+
+@Article{chaussende08,
+ title = "Prospects for 3{C}-Si{C} bulk crystal growth",
+ journal = "Journal of Crystal Growth",
+ volume = "310",
+ number = "5",
+ pages = "976--981",
+ year = "2008",
+ note = "Proceedings of the E-MRS Conference, Symposium G -
+ Substrates of Wide Bandgap Materials",
+ ISSN = "0022-0248",
+ doi = "DOI: 10.1016/j.jcrysgro.2007.11.140",
+ URL = "http://www.sciencedirect.com/science/article/B6TJ6-4R7J67S-F/2/e92fc194b652409f5b119393d608b082",
+ author = "D. Chaussende and F. Mercier and A. Boulle and F.
+ Conchon and M. Soueidan and G. Ferro and A. Mantzari
+ and A. Andreadou and E. K. Polychroniadis and C.
+ Balloud and S. Juillaguet and J. Camassel and M. Pons",
+ notes = "3c-sic crystal growth, sic fabrication + links,
+ metastable",
+}
+
+@Article{feynman39,
+ title = "Forces in Molecules",
+ author = "R. P. Feynman",
+ journal = "Phys. Rev.",
+ volume = "56",
+ number = "4",
+ pages = "340--343",
+ numpages = "3",
+ year = "1939",
+ month = aug,
+ doi = "10.1103/PhysRev.56.340",
+ publisher = "American Physical Society",
+ notes = "hellmann feynman forces",
+}
+
+@Article{buczko00,
+ title = "Bonding Arrangements at the $Si-Si{O}_{2}$ and
+ $Si{C}-Si{O}_{2}$ Interfaces and a Possible Origin of
+ their Contrasting Properties",
+ author = "Ryszard Buczko and Stephen J. Pennycook and Sokrates
+ T. Pantelides",
+ journal = "Phys. Rev. Lett.",
+ volume = "84",
+ number = "5",
+ pages = "943--946",
+ numpages = "3",
+ year = "2000",
+ month = jan,
+ doi = "10.1103/PhysRevLett.84.943",
+ publisher = "American Physical Society",
+ notes = "si sio2 and sic sio2 interface",
+}
+
+@Article{djurabekova08,
+ title = "Atomistic simulation of the interface structure of Si
+ nanocrystals embedded in amorphous silica",
+ author = "Flyura Djurabekova and Kai Nordlund",
+ journal = "Phys. Rev. B",
+ volume = "77",
+ number = "11",
+ pages = "115325",
+ numpages = "7",
+ year = "2008",
+ month = mar,
+ doi = "10.1103/PhysRevB.77.115325",
+ publisher = "American Physical Society",
+ notes = "nc-si in sio2, interface energy, nc construction,
+ angular distribution, coordination",
+}
+
+@Article{wen09,
+ author = "C. Wen and Y. M. Wang and W. Wan and F. H. Li and J.
+ W. Liang and J. Zou",
+ collaboration = "",
+ title = "Nature of interfacial defects and their roles in
+ strain relaxation at highly lattice mismatched
+ 3{C}-Si{C}/Si (001) interface",
+ publisher = "AIP",
+ year = "2009",
+ journal = "Journal of Applied Physics",
+ volume = "106",
+ number = "7",
+ eid = "073522",
+ numpages = "8",
+ pages = "073522",
+ keywords = "anelastic relaxation; crystal structure; dislocations;
+ elemental semiconductors; semiconductor growth;
+ semiconductor thin films; silicon; silicon compounds;
+ stacking faults; wide band gap semiconductors",
+ URL = "http://link.aip.org/link/?JAP/106/073522/1",
+ doi = "10.1063/1.3234380",
+ notes = "sic/si interface, follow refs, tem image
+ deconvolution, dislocation defects",
+}
+
+@Article{kitabatake93,
+ author = "Makoto Kitabatake and Masahiro Deguchi and Takashi
+ Hirao",
+ collaboration = "",
+ title = "Simulations and experiments of Si{C} heteroepitaxial
+ growth on Si(001) surface",
+ publisher = "AIP",
+ year = "1993",
+ journal = "Journal of Applied Physics",
+ volume = "74",
+ number = "7",
+ pages = "4438--4445",
+ keywords = "SILICON CARBIDES; FILM GROWTH; SIMULATION; MOLECULAR
+ BEAM EPITAXY; MOLECULAR DYNAMICS CALCULATIONS; SILICON;
+ MICROSTRUCTURE; ULTRAVIOLET RADIATION; IRRADIATION",
+ URL = "http://link.aip.org/link/?JAP/74/4438/1",
+ doi = "10.1063/1.354385",
+ notes = "mbe and md of sic growth on si, 4 to 5 shrinkage
+ model, interface",
+}
+
+@Article{chirita97,
+ title = "Strain relaxation and thermal stability of the
+ 3{C}-Si{C}(001)/Si(001) interface: {A} molecular
+ dynamics study",
+ journal = "Thin Solid Films",
+ volume = "294",
+ number = "1-2",
+ pages = "47--49",
+ year = "1997",
+ note = "",
+ ISSN = "0040-6090",
+ doi = "DOI: 10.1016/S0040-6090(96)09257-7",
+ URL = "http://www.sciencedirect.com/science/article/B6TW0-41WBB52-C/2/6ef684a04d02dd3b108f972377cde8f4",
+ author = "V. Chirita and L. Hultman and L. R. Wallenberg",
+ keywords = "Strain relaxation",
+ keywords = "Interfaces",
+ keywords = "Thermal stability",
+ keywords = "Molecular dynamics",
+ notes = "tersoff sic/si interface study",
+}
+
+@Article{cicero02,
+ title = "Ab initio Study of Misfit Dislocations at the
+ $Si{C}/Si(001)$ Interface",
+ author = "Giancarlo Cicero and Laurent Pizzagalli and Alessandra
+ Catellani",
+ journal = "Phys. Rev. Lett.",
+ volume = "89",
+ number = "15",
+ pages = "156101",
+ numpages = "4",
+ year = "2002",
+ month = sep,
+ doi = "10.1103/PhysRevLett.89.156101",
+ publisher = "American Physical Society",
+ notes = "sic/si interface study",
+}
+
+@Article{pizzagalli03,
+ title = "Theoretical investigations of a highly mismatched
+ interface: Si{C}/Si(001)",
+ author = "Laurent Pizzagalli and Giancarlo Cicero and Alessandra
+ Catellani",
+ journal = "Phys. Rev. B",
+ volume = "68",
+ number = "19",
+ pages = "195302",
+ numpages = "10",
+ year = "2003",
+ month = nov,
+ doi = "10.1103/PhysRevB.68.195302",
+ publisher = "American Physical Society",
+ notes = "tersoff md and ab initio sic/si interface study",
+}
+
+@Article{tang07,
+ title = "Atomic configurations of dislocation core and twin
+ boundaries in $ 3{C}-Si{C} $ studied by high-resolution
+ electron microscopy",
+ author = "C. Y. Tang and F. H. Li and R. Wang and J. Zou and X.
+ H. Zheng and J. W. Liang",
+ journal = "Phys. Rev. B",
+ volume = "75",
+ number = "18",
+ pages = "184103",
+ numpages = "7",
+ year = "2007",
+ month = may,
+ doi = "10.1103/PhysRevB.75.184103",
+ publisher = "American Physical Society",
+ notes = "hrem image deconvolution on 3c-sic on si, distinguish
+ si and c",
+}
+
+@Article{hornstra58,
+ title = "Dislocations in the diamond lattice",
+ journal = "Journal of Physics and Chemistry of Solids",
+ volume = "5",
+ number = "1-2",
+ pages = "129--141",
+ year = "1958",
+ note = "",
+ ISSN = "0022-3697",
+ doi = "DOI: 10.1016/0022-3697(58)90138-0",
+ URL = "http://www.sciencedirect.com/science/article/B6TXR-46MMPHJ-10D/2/7176c01c29cd4e73faa26ab2aacdcea5",
+ author = "J. Hornstra",
+ notes = "dislocations in diamond lattice",
+}
+
+@Article{eichhorn99,
+ author = "F. Eichhorn and N. Schell and W. Matz and R.
+ K{\"{o}}gler",
+ collaboration = "",
+ title = "Strain and Si{C} particle formation in silicon
+ implanted with carbon ions of medium fluence studied by
+ synchrotron x-ray diffraction",
+ publisher = "AIP",
+ year = "1999",
+ journal = "Journal of Applied Physics",
+ volume = "86",
+ number = "8",
+ pages = "4184--4187",
+ keywords = "silicon; carbon; elemental semiconductors; chemical
+ interdiffusion; ion implantation; X-ray diffraction;
+ precipitation; semiconductor doping",
+ URL = "http://link.aip.org/link/?JAP/86/4184/1",
+ doi = "10.1063/1.371344",
+ notes = "sic conversion by ibs, detected substitutional carbon,
+ expansion of si lattice",
+}
+
+@Article{eichhorn02,
+ author = "F. Eichhorn and N. Schell and A. M{\"{u}}cklich and H.
+ Metzger and W. Matz and R. K{\"{o}}gler",
+ collaboration = "",
+ title = "Structural relation between Si and Si{C} formed by
+ carbon ion implantation",
+ publisher = "AIP",
+ year = "2002",
+ journal = "Journal of Applied Physics",
+ volume = "91",
+ number = "3",
+ pages = "1287--1292",
+ keywords = "silicon compounds; wide band gap semiconductors; ion
+ implantation; annealing; X-ray scattering; transmission
+ electron microscopy",
+ URL = "http://link.aip.org/link/?JAP/91/1287/1",
+ doi = "10.1063/1.1428105",
+ notes = "3c-sic alignement to si host in ibs depending on
+ temperature, might explain c int to c sub trafo",
+}
+
+@Article{lucas10,
+ author = "G Lucas and M Bertolus and L Pizzagalli",
+ title = "An environment-dependent interatomic potential for
+ silicon carbide: calculation of bulk properties,
+ high-pressure phases, point and extended defects, and
+ amorphous structures",
+ journal = "Journal of Physics: Condensed Matter",
+ volume = "22",
+ number = "3",
+ pages = "035802",
+ URL = "http://stacks.iop.org/0953-8984/22/i=3/a=035802",
+ year = "2010",
+ notes = "edip sic",
+}
+
+@Article{godet03,
+ author = "J Godet and L Pizzagalli and S Brochard and P
+ Beauchamp",
+ title = "Comparison between classical potentials and ab initio
+ methods for silicon under large shear",
+ journal = "Journal of Physics: Condensed Matter",
+ volume = "15",
+ number = "41",
+ pages = "6943",
+ URL = "http://stacks.iop.org/0953-8984/15/i=41/a=004",
+ year = "2003",
+ notes = "comparison of empirical potentials, stillinger weber,
+ edip, tersoff, ab initio",
+}
+
+@Article{moriguchi98,
+ title = "Verification of Tersoff's Potential for Static
+ Structural Analysis of Solids of Group-{IV} Elements",
+ author = "Koji Moriguchi and Akira Shintani",
+ journal = "Japanese Journal of Applied Physics",
+ volume = "37",
+ number = "Part 1, No. 2",
+ pages = "414--422",
+ numpages = "8",
+ year = "1998",
+ URL = "http://jjap.ipap.jp/link?JJAP/37/414/",
+ doi = "10.1143/JJAP.37.414",
+ publisher = "The Japan Society of Applied Physics",
+ notes = "tersoff stringent test",
+}
+
+@Article{mazzarolo01,
+ title = "Low-energy recoils in crystalline silicon: Quantum
+ simulations",
+ author = "Massimiliano Mazzarolo and Luciano Colombo and Giorgio
+ Lulli and Eros Albertazzi",
+ journal = "Phys. Rev. B",
+ volume = "63",
+ number = "19",
+ pages = "195207",
+ numpages = "4",
+ year = "2001",
+ month = apr,
+ doi = "10.1103/PhysRevB.63.195207",
+ publisher = "American Physical Society",
+}
+
+@Article{holmstroem08,
+ title = "Threshold defect production in silicon determined by
+ density functional theory molecular dynamics
+ simulations",
+ author = "E. Holmstr{\"o}m and A. Kuronen and K. Nordlund",
+ journal = "Phys. Rev. B",
+ volume = "78",
+ number = "4",
+ pages = "045202",
+ numpages = "6",
+ year = "2008",
+ month = jul,
+ doi = "10.1103/PhysRevB.78.045202",
+ publisher = "American Physical Society",
+ notes = "threshold displacement comparison empirical and ab
+ initio",
+}
+
+@Article{nordlund97,
+ title = "Repulsive interatomic potentials calculated using
+ Hartree-Fock and density-functional theory methods",
+ journal = "Nuclear Instruments and Methods in Physics Research
+ Section B: Beam Interactions with Materials and Atoms",
+ volume = "132",
+ number = "1",
+ pages = "45--54",
+ year = "1997",
+ note = "",
+ ISSN = "0168-583X",
+ doi = "DOI: 10.1016/S0168-583X(97)00447-3",
+ URL = "http://www.sciencedirect.com/science/article/B6TJN-4CP0TGF-91/2/1a9100c0aae82d2d258fc83dfdba23c1",
+ author = "K. Nordlund and N. Runeberg and D. Sundholm",
+ notes = "repulsive ab initio potential",
+}
+
+@Article{kresse96,
+ title = "Efficiency of ab-initio total energy calculations for
+ metals and semiconductors using a plane-wave basis
+ set",
+ journal = "Computational Materials Science",
+ volume = "6",
+ number = "1",
+ pages = "15--50",
+ year = "1996",
+ note = "",
+ ISSN = "0927-0256",
+ doi = "DOI: 10.1016/0927-0256(96)00008-0",
+ URL = "http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74",
+ author = "G. Kresse and J. Furthm{\"{u}}ller",
+ notes = "vasp ref",
+}
+
+@Article{bloechl94,
+ title = "Projector augmented-wave method",
+ author = "P. E. Bl{\"o}chl",
+ journal = "Phys. Rev. B",
+ volume = "50",
+ number = "24",
+ pages = "17953--17979",
+ numpages = "26",
+ year = "1994",