+
+@Article{kapur04,
+ title = "Carbon-mediated aggregation of self-interstitials in
+ silicon: {A} large-scale molecular dynamics study",
+ author = "Sumeet S. Kapur and Manish Prasad and Talid Sinno",
+ journal = "Phys. Rev. B",
+ volume = "69",
+ number = "15",
+ pages = "155214",
+ numpages = "8",
+ year = "2004",
+ month = apr,
+ doi = "10.1103/PhysRevB.69.155214",
+ publisher = "American Physical Society",
+ notes = "simulation using promising tersoff reparametrization",
+}
+
+@Article{barkema96,
+ title = "Event-Based Relaxation of Continuous Disordered
+ Systems",
+ author = "G. T. Barkema and Normand Mousseau",
+ journal = "Phys. Rev. Lett.",
+ volume = "77",
+ number = "21",
+ pages = "4358--4361",
+ numpages = "3",
+ year = "1996",
+ month = nov,
+ doi = "10.1103/PhysRevLett.77.4358",
+ publisher = "American Physical Society",
+ notes = "activation relaxation technique, art, speed up slow
+ dynamic mds",
+}
+
+@Article{cances09,
+ author = "E. Canc\`{e}s and F. Legoll and M.-C. Marinica and K.
+ Minoukadeh and F. Willaime",
+ collaboration = "",
+ title = "Some improvements of the activation-relaxation
+ technique method for finding transition pathways on
+ potential energy surfaces",
+ publisher = "AIP",
+ year = "2009",
+ journal = "The Journal of Chemical Physics",
+ volume = "130",
+ number = "11",
+ eid = "114711",
+ numpages = "6",
+ pages = "114711",
+ keywords = "eigenvalues and eigenfunctions; iron; potential energy
+ surfaces; vacancies (crystal)",
+ URL = "http://link.aip.org/link/?JCP/130/114711/1",
+ doi = "10.1063/1.3088532",
+ notes = "improvements to art, refs for methods to find
+ transition pathways",
+}
+
+@Article{parrinello81,
+ author = "M. Parrinello and A. Rahman",
+ collaboration = "",
+ title = "Polymorphic transitions in single crystals: {A} new
+ molecular dynamics method",
+ publisher = "AIP",
+ year = "1981",
+ journal = "Journal of Applied Physics",
+ volume = "52",
+ number = "12",
+ pages = "7182--7190",
+ keywords = "MONOCRYSTALS; PHASE TRANSFORMATIONS; STRUCTURAL
+ MODELS; DYNAMICS; THEORETICAL DATA; STRESSES;
+ CONFIGURATION; LAGRANGE EQUATIONS; SIZE; NICKEL;
+ COMPRESSION; TENSILE PROPERTIES; COMPARATIVE
+ EVALUATIONS; STRAINS; CUBIC LATTICES; HCP LATTICES;
+ IMPACT SHOCK",
+ URL = "http://link.aip.org/link/?JAP/52/7182/1",
+ doi = "10.1063/1.328693",
+}
+
+@Article{stillinger85,
+ title = "Computer simulation of local order in condensed phases
+ of silicon",
+ author = "Frank H. Stillinger and Thomas A. Weber",
+ journal = "Phys. Rev. B",
+ volume = "31",
+ number = "8",
+ pages = "5262--5271",
+ numpages = "9",
+ 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",
+ month = dec,
+ doi = "10.1103/PhysRevB.50.17953",
+ publisher = "American Physical Society",
+ notes = "paw method",
+}
+
+@Article{hamann79,
+ title = "Norm-Conserving Pseudopotentials",
+ author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
+ journal = "Phys. Rev. Lett.",
+ volume = "43",
+ number = "20",
+ pages = "1494--1497",
+ numpages = "3",
+ year = "1979",
+ month = nov,
+ doi = "10.1103/PhysRevLett.43.1494",
+ publisher = "American Physical Society",
+ notes = "norm-conserving pseudopotentials",
+}
+
+@Article{vanderbilt90,
+ title = "Soft self-consistent pseudopotentials in a generalized
+ eigenvalue formalism",
+ author = "David Vanderbilt",
+ journal = "Phys. Rev. B",
+ volume = "41",
+ number = "11",
+ pages = "7892--7895",
+ numpages = "3",
+ year = "1990",
+ month = apr,
+ doi = "10.1103/PhysRevB.41.7892",
+ publisher = "American Physical Society",
+ notes = "vasp pseudopotentials",
+}
+
+@Article{perdew86,
+ title = "Accurate and simple density functional for the
+ electronic exchange energy: Generalized gradient
+ approximation",
+ author = "John P. Perdew and Wang Yue",
+ journal = "Phys. Rev. B",
+ volume = "33",
+ number = "12",
+ pages = "8800--8802",
+ numpages = "2",
+ year = "1986",
+ month = jun,
+ doi = "10.1103/PhysRevB.33.8800",
+ publisher = "American Physical Society",
+ notes = "rapid communication gga",
+}
+
+@Article{perdew02,
+ title = "Generalized gradient approximations for exchange and
+ correlation: {A} look backward and forward",
+ journal = "Physica B: Condensed Matter",
+ volume = "172",
+ number = "1-2",
+ pages = "1--6",
+ year = "1991",
+ note = "",
+ ISSN = "0921-4526",
+ doi = "DOI: 10.1016/0921-4526(91)90409-8",
+ URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8GR9-3D/2/18e610a616e4d80b934079c89063ece7",
+ author = "John P. Perdew",
+ notes = "gga overview",
+}
+
+@Article{perdew92,
+ title = "Atoms, molecules, solids, and surfaces: Applications
+ of the generalized gradient approximation for exchange
+ and correlation",
+ author = "John P. Perdew and J. A. Chevary and S. H. Vosko and
+ Koblar A. Jackson and Mark R. Pederson and D. J. Singh
+ and Carlos Fiolhais",
+ journal = "Phys. Rev. B",
+ volume = "46",
+ number = "11",
+ pages = "6671--6687",
+ numpages = "16",
+ year = "1992",
+ month = sep,
+ doi = "10.1103/PhysRevB.46.6671",
+ publisher = "American Physical Society",
+ notes = "gga pw91 (as in vasp)",
+}
+
+@Article{baldereschi73,
+ title = "Mean-Value Point in the Brillouin Zone",
+ author = "A. Baldereschi",
+ journal = "Phys. Rev. B",
+ volume = "7",
+ number = "12",
+ pages = "5212--5215",
+ numpages = "3",
+ year = "1973",
+ month = jun,
+ doi = "10.1103/PhysRevB.7.5212",
+ publisher = "American Physical Society",
+ notes = "mean value k point",
+}
+
+@Article{zhu98,
+ title = "Ab initio pseudopotential calculations of dopant
+ diffusion in Si",
+ journal = "Computational Materials Science",
+ volume = "12",
+ number = "4",
+ pages = "309--318",
+ year = "1998",
+ note = "",
+ ISSN = "0927-0256",
+ doi = "DOI: 10.1016/S0927-0256(98)00023-8",
+ URL = "http://www.sciencedirect.com/science/article/B6TWM-3VB7F2K-7/2/aa864582273be8e054300efb7bd16a1b",
+ author = "Jing Zhu",
+ keywords = "TED (transient enhanced diffusion)",
+ keywords = "Boron dopant",
+ keywords = "Carbon dopant",
+ keywords = "Defect",
+ keywords = "ab initio pseudopotential method",
+ keywords = "Impurity cluster",
+ notes = "binding of c to si interstitial, c in si defects",
+}
+
+@Article{nejim95,
+ author = "A. Nejim and P. L. F. Hemment and J. Stoemenos",
+ collaboration = "",
+ title = "Si{C} buried layer formation by ion beam synthesis at
+ 950 [degree]{C}",
+ publisher = "AIP",
+ year = "1995",
+ journal = "Applied Physics Letters",
+ volume = "66",
+ number = "20",
+ pages = "2646--2648",
+ keywords = "SILICON; ION IMPLANTATION; CARBON IONS; SILICON
+ CARBIDES; BURIED LAYERS; SYNTHESIS; KEV RANGE 100 --
+ 1000; CRYSTAL DEFECTS; MORPHOLOGY; RBS; TRANSMISSION
+ ELECTRON MICROSCOPY",
+ URL = "http://link.aip.org/link/?APL/66/2646/1",
+ doi = "10.1063/1.113112",
+ notes = "precipitation mechanism by substitutional carbon, si
+ self interstitials react with further implanted c",
+}
+
+@Article{guedj98,
+ author = "C. Guedj and M. W. Dashiell and L. Kulik and J.
+ Kolodzey and A. Hairie",
+ collaboration = "",
+ title = "Precipitation of beta-Si{C} in Si[sub 1 - y]{C}[sub y]
+ alloys",
+ publisher = "AIP",
+ year = "1998",
+ journal = "Journal of Applied Physics",
+ volume = "84",
+ number = "8",
+ pages = "4631--4633",
+ keywords = "silicon compounds; precipitation; localised modes;
+ semiconductor epitaxial layers; infrared spectra;
+ Fourier transform spectra; thermal stability;
+ annealing",
+ URL = "http://link.aip.org/link/?JAP/84/4631/1",
+ doi = "10.1063/1.368703",
+ notes = "coherent 3C-SiC, topotactic, critical coherence size",
+}
+
+@Article{jones04,
+ author = "R Jones and B J Coomer and P R Briddon",
+ title = "Quantum mechanical modelling of defects in
+ semiconductors",
+ journal = "Journal of Physics: Condensed Matter",
+ volume = "16",
+ number = "27",
+ pages = "S2643",
+ URL = "http://stacks.iop.org/0953-8984/16/i=27/a=004",
+ year = "2004",
+ notes = "ab inito init, vibrational modes, c defect in si",
+}
+
+@Article{park02,
+ author = "S. Y. Park and J. D'Arcy-Gall and D. Gall and J. A. N.
+ T Soares and Y.-W. Kim and H. Kim and P. Desjardins and
+ J. E. Greene and S. G. Bishop",
+ collaboration = "",
+ title = "Carbon incorporation pathways and lattice sites in
+ Si[sub 1 - y]{C}[sub y] alloys grown on Si(001) by
+ molecular-beam epitaxy",
+ publisher = "AIP",
+ year = "2002",
+ journal = "Journal of Applied Physics",
+ volume = "91",
+ number = "9",
+ pages = "5716--5727",
+ URL = "http://link.aip.org/link/?JAP/91/5716/1",
+ doi = "10.1063/1.1465122",
+ notes = "c substitutional incorporation pathway, dft and expt",
+}
+
+@Article{leary97,
+ title = "Dynamic properties of interstitial carbon and
+ carbon-carbon pair defects in silicon",
+ author = "P. Leary and R. Jones and S. {\"O}berg and V. J. B.
+ Torres",
+ journal = "Phys. Rev. B",
+ volume = "55",
+ number = "4",
+ pages = "2188--2194",
+ numpages = "6",
+ year = "1997",
+ month = jan,
+ doi = "10.1103/PhysRevB.55.2188",
+ publisher = "American Physical Society",
+ notes = "ab initio c in si and di-carbon defect, no formation
+ energies, different migration barriers and paths",
+}
+
+@Article{burnard93,
+ title = "Interstitial carbon and the carbon-carbon pair in
+ silicon: Semiempirical electronic-structure
+ calculations",
+ author = "Matthew J. Burnard and Gary G. DeLeo",
+ journal = "Phys. Rev. B",
+ volume = "47",
+ number = "16",
+ pages = "10217--10225",
+ numpages = "8",
+ year = "1993",
+ month = apr,
+ doi = "10.1103/PhysRevB.47.10217",
+ publisher = "American Physical Society",
+ notes = "semi empirical mndo, pm3 and mindo3 c in si and di
+ carbon defect, formation energies",
+}
+
+@Article{kaxiras96,
+ title = "Review of atomistic simulations of surface diffusion
+ and growth on semiconductors",
+ journal = "Computational Materials Science",
+ volume = "6",
+ number = "2",
+ pages = "158--172",
+ year = "1996",
+ note = "Proceedings of the Workshop on Virtual Molecular Beam
+ Epitaxy",
+ ISSN = "0927-0256",
+ doi = "DOI: 10.1016/0927-0256(96)00030-4",
+ URL = "http://www.sciencedirect.com/science/article/B6TWM-3VSFF1G-7/2/afc8408b00ded1ca2dc3ad1686c2dae6",
+ author = "Efthimios Kaxiras",
+ notes = "might contain c 100 db formation energy, overview md,
+ tight binding, first principles",
+}
+
+@Article{kaukonen98,
+ title = "Effect of {N} and {B} doping on the growth of {CVD}
+ diamond
+ $(100):{H}(2\ifmmode\times\else\texttimes\fi{}1)$
+ surfaces",
+ author = "M. Kaukonen and P. K. Sitch and G. Jungnickel and R.
+ M. Nieminen and Sami P{\"o}ykk{\"o} and D. Porezag and
+ Th. Frauenheim",
+ journal = "Phys. Rev. B",
+ volume = "57",
+ number = "16",
+ pages = "9965--9970",
+ numpages = "5",
+ year = "1998",
+ month = apr,
+ doi = "10.1103/PhysRevB.57.9965",
+ publisher = "American Physical Society",
+ notes = "constrained conjugate gradient relaxation technique
+ (crt)",
+}
+
+@Article{gali03,
+ title = "Correlation between the antisite pair and the ${DI}$
+ center in Si{C}",
+ author = "A. Gali and P. De\'ak and E. Rauls and N. T. Son and
+ I. G. Ivanov and F. H. C. Carlsson and E. Janz\'en and
+ W. J. Choyke",
+ journal = "Phys. Rev. B",
+ volume = "67",
+ number = "15",
+ pages = "155203",
+ numpages = "5",
+ year = "2003",
+ month = apr,
+ doi = "10.1103/PhysRevB.67.155203",
+ publisher = "American Physical Society",
+}
+
+@Article{chen98,
+ title = "Production and recovery of defects in Si{C} after
+ irradiation and deformation",
+ journal = "Journal of Nuclear Materials",
+ volume = "258-263",
+ number = "Part 2",
+ pages = "1803--1808",
+ year = "1998",
+ note = "",
+ ISSN = "0022-3115",
+ doi = "DOI: 10.1016/S0022-3115(98)00139-1",
+ URL = "http://www.sciencedirect.com/science/article/B6TXN-43G486N-47/2/56905f48f025ab98e5de4d6cde09c62b",
+ author = "J. Chen and P. Jung and H. Klein",
+}
+
+@Article{weber01,
+ title = "Accumulation, dynamic annealing and thermal recovery
+ of ion-beam-induced disorder in silicon carbide",
+ journal = "Nuclear Instruments and Methods in Physics Research
+ Section B: Beam Interactions with Materials and Atoms",
+ volume = "175-177",
+ number = "",
+ pages = "26--30",
+ year = "2001",
+ note = "",
+ ISSN = "0168-583X",
+ doi = "DOI: 10.1016/S0168-583X(00)00542-5",
+ URL = "http://www.sciencedirect.com/science/article/B6TJN-435KH7Y-2R/2/8acc176700c95bb8614d96c40cfc5577",
+ author = "W. J. Weber and W. Jiang and S. Thevuthasan",
+ keywords = "Amorphization",
+ keywords = "Irradiation effects",
+ keywords = "Thermal recovery",
+ keywords = "Silicon carbide",
+}
+
+@Article{bockstedte03,
+ title = "Ab initio study of the migration of intrinsic defects
+ in $3{C}-Si{C}$",
+ author = "Michel Bockstedte and Alexander Mattausch and Oleg
+ Pankratov",
+ journal = "Phys. Rev. B",
+ volume = "68",
+ number = "20",
+ pages = "205201",
+ numpages = "17",
+ year = "2003",
+ month = nov,
+ doi = "10.1103/PhysRevB.68.205201",
+ publisher = "American Physical Society",
+ notes = "defect migration in sic",
+}
+
+@Article{rauls03a,
+ title = "Theoretical study of vacancy diffusion and
+ vacancy-assisted clustering of antisites in Si{C}",
+ author = "E. Rauls and Th. Frauenheim and A. Gali and P.
+ De\'ak",
+ journal = "Phys. Rev. B",
+ volume = "68",
+ number = "15",
+ pages = "155208",
+ numpages = "9",
+ year = "2003",
+ month = oct,
+ doi = "10.1103/PhysRevB.68.155208",
+ publisher = "American Physical Society",
+}