notes = "sic polytypes",
}
+@Article{koegler03,
+ author = "R. Kögler and F. Eichhorn and J. R. Kaschny and A.
+ Mücklich and H. Reuther and W. Skorupa and C. Serre and
+ A. Perez-Rodriguez",
+ title = "Synthesis of nano-sized Si{C} precipitates in Si by
+ simultaneous dual-beam implantation of {C}+ and Si+
+ ions",
+ journal = "Applied Physics A: Materials Science \& Processing",
+ volume = "76",
+ pages = "827--835",
+ month = mar,
+ year = "2003",
+ notes = "dual implantation, sic prec enhanced by vacancies",
+}
+
@Book{laplace,
author = "P. S. de Laplace",
title = "Th\'eorie analytique des probabilit\'es",
year = "1995",
}
-@Article{tersoff89,
+@Article{brenner89,
title = "Relationship between the embedded-atom method and
Tersoff potentials",
author = "Donald W. Brenner",
tersoff",
}
-@Article{batra87,
+@Article{kitabatake00,
title = "Si{C}/Si heteroepitaxial growth",
author = "M. Kitabatake",
journal = "Thin Solid Films",
notes = "si self interstitial, diffusion, tbmd",
}
-@Article{tang97,
+@Article{bar-yam84,
+ title = "Barrier to Migration of the Silicon
+ Self-Interstitial",
+ author = "Y. Bar-Yam and J. D. Joannopoulos",
+ journal = "Phys. Rev. Lett.",
+ volume = "52",
+ number = "13",
+ pages = "1129--1132",
+ numpages = "3",
+ year = "1984",
+ month = mar,
+ doi = "10.1103/PhysRevLett.52.1129",
+ publisher = "American Physical Society",
+ notes = "si self-interstitial migration barrier",
+}
+
+@Article{colombo02,
title = "Tight-binding theory of native point defects in
silicon",
author = "L. Colombo",
notes = "si self interstitial, tbmd, virial stress",
}
+@Article{al-mushadani03,
+ title = "Free-energy calculations of intrinsic point defects in
+ silicon",
+ author = "O. K. Al-Mushadani and R. J. Needs",
+ journal = "Phys. Rev. B",
+ volume = "68",
+ number = "23",
+ pages = "235205",
+ numpages = "8",
+ year = "2003",
+ month = dec,
+ doi = "10.1103/PhysRevB.68.235205",
+ publisher = "American Physical Society",
+ notes = "formation energies of intrinisc point defects in
+ silicon, si self interstitials",
+}
+
+@Article{ma10,
+ title = "Ab initio study of self-diffusion in silicon over a
+ wide temperature range: Point defect states and
+ migration mechanisms",
+ author = "Shangyi Ma and Shaoqing Wang",
+ journal = "Phys. Rev. B",
+ volume = "81",
+ number = "19",
+ pages = "193203",
+ numpages = "4",
+ year = "2010",
+ month = may,
+ doi = "10.1103/PhysRevB.81.193203",
+ publisher = "American Physical Society",
+ notes = "si self interstitial diffusion + refs",
+}
+
+@Article{posselt08,
+ title = "Correlation between self-diffusion in Si and the
+ migration mechanisms of vacancies and
+ self-interstitials: An atomistic study",
+ author = "M. Posselt and F. Gao and H. Bracht",
+ journal = "Phys. Rev. B",
+ volume = "78",
+ number = "3",
+ pages = "035208",
+ numpages = "9",
+ year = "2008",
+ month = jul,
+ doi = "10.1103/PhysRevB.78.035208",
+ publisher = "American Physical Society",
+ notes = "si self-interstitial and vacancy diffusion, stillinger
+ weber and tersoff",
+}
+
@Article{gao2001,
title = "Ab initio and empirical-potential studies of defect
properties in $3{C}-Si{C}$",
doi = "10.1103/PhysRevB.66.195214",
publisher = "American Physical Society",
notes = "c in c-si, diffusion, interstitial configuration +
- links, interaction of carbon and silicon
- interstitials",
+ links, interaction of carbon and silicon interstitials,
+ tersoff suitability",
}
@Article{leung99,
path formation",
}
+@Article{car85,
+ title = "Unified Approach for Molecular Dynamics and
+ Density-Functional Theory",
+ author = "R. Car and M. Parrinello",
+ journal = "Phys. Rev. Lett.",
+ volume = "55",
+ number = "22",
+ pages = "2471--2474",
+ numpages = "3",
+ year = "1985",
+ month = nov,
+ doi = "10.1103/PhysRevLett.55.2471",
+ publisher = "American Physical Society",
+ notes = "car parrinello method, dft and md",
+}
+
@Article{kelires97,
title = "Short-range order, bulk moduli, and physical trends in
c-$Si1-x$$Cx$ alloys",
precipitate",
}
+@InProceedings{werner96,
+ author = "P. Werner and R. Koegler and W. Skorupa and D.
+ Eichler",
+ booktitle = "Ion Implantation Technology. Proceedings of the 11th
+ International Conference on",
+ title = "{TEM} investigation of {C}-Si defects in carbon
+ implanted silicon",
+ year = "1996",
+ month = jun,
+ volume = "",
+ number = "",
+ pages = "675--678",
+ keywords = "beta;-SiC precipitates;30 s;700 to 1300 C;C
+ atom/radiation induced defect interaction;C depth
+ distribution;C precipitation;C-Si defects;C-Si
+ dimers;CZ Si;HREM;Si:C;TEM;buried layer morphology;high
+ energy ion implantation;ion implantation;metastable
+ agglomerates;microdefects;positron annihilation
+ spectroscopy;rapid thermal annealing;secondary ion mass
+ spectrometry;vacancy clusters;buried
+ layers;carbon;elemental semiconductors;impurity-defect
+ interactions;ion implantation;positron
+ annihilation;precipitation;rapid thermal
+ annealing;secondary ion mass
+ spectra;silicon;transmission electron
+ microscopy;vacancies (crystal);",
+ doi = "10.1109/IIT.1996.586497",
+ ISSN = "",
+ notes = "c-si agglomerates dumbbells",
+}
+
@Article{strane94,
author = "J. W. Strane and H. J. Stein and S. R. Lee and S. T.
Picraux and J. K. Watanabe and J. W. Mayer",
number = "1-4",
pages = "528--533",
year = "1999",
- note = "",
ISSN = "0168-583X",
doi = "DOI: 10.1016/S0168-583X(98)00787-3",
URL = "http://www.sciencedirect.com/science/article/B6TJN-3XGFSSH-3H/2/17d138baa6db68cb279e6de9161e5f85",
author = "J. K. N. Lindner and B. Stritzker",
+ notes = "3c-sic precipitation model, c-si dimers (dumbbells)",
}
@Article{lindner01,
notes = "ibs, burried sic layers",
}
+@Article{ito04,
+ title = "Ion beam synthesis of 3{C}-Si{C} layers in Si and its
+ application in buffer layer for Ga{N} epitaxial
+ growth",
+ journal = "Applied Surface Science",
+ volume = "238",
+ number = "1-4",
+ pages = "159--164",
+ year = "2004",
+ note = "APHYS'03 Special Issue",
+ ISSN = "0169-4332",
+ doi = "DOI: 10.1016/j.apsusc.2004.05.199",
+ URL = "http://www.sciencedirect.com/science/article/B6THY-4CTTNGX-B/2/d24ee637db87f3f1a6ef7fe6820f267c",
+ author = "Y. Ito and T. Yamauchi and A. Yamamoto and M. Sasase
+ and S. Nishio and K. Yasuda and Y. Ishigami",
+ notes = "gan on 3c-sic",
+}
+
@Article{alder57,
author = "B. J. Alder and T. E. Wainwright",
title = "Phase Transition for a Hard Sphere System",
author = "Yu. M. Tairov and V. F. Tsvetkov",
}
+@Article{nishino83,
+ author = "Shigehiro Nishino and J. Anthony Powell and Herbert A.
+ Will",
+ collaboration = "",
+ title = "Production of large-area single-crystal wafers of
+ cubic Si{C} for semiconductor devices",
+ publisher = "AIP",
+ year = "1983",
+ journal = "Applied Physics Letters",
+ volume = "42",
+ number = "5",
+ pages = "460--462",
+ keywords = "silicon carbides; layers; chemical vapor deposition;
+ monocrystals",
+ URL = "http://link.aip.org/link/?APL/42/460/1",
+ doi = "10.1063/1.93970",
+ notes = "cvd of 3c-sic on si, sic buffer layer",
+}
+
+@Article{nishino87,
+ author = "Shigehiro Nishino and Hajime Suhara and Hideyuki Ono
+ and Hiroyuki Matsunami",
+ collaboration = "",
+ title = "Epitaxial growth and electric characteristics of cubic
+ Si{C} on silicon",
+ publisher = "AIP",
+ year = "1987",
+ journal = "Journal of Applied Physics",
+ volume = "61",
+ number = "10",
+ pages = "4889--4893",
+ URL = "http://link.aip.org/link/?JAP/61/4889/1",
+ doi = "10.1063/1.338355",
+ notes = "cvd of 3c-sic on si, sic buffer layer, first time
+ carbonization",
+}
+
@Article{powell87,
author = "J. Anthony Powell and Lawrence G. Matus and Maria A.
Kuczmarski",
VAPOR DEPOSITION",
URL = "http://link.aip.org/link/?JAP/73/726/1",
doi = "10.1063/1.353329",
+ notes = "cvd of 6h-sic on 6h-sic, twinned 3c-sic",
}
@Article{powell90,
PHASE EPITAXY",
URL = "http://link.aip.org/link/?APL/56/1353/1",
doi = "10.1063/1.102512",
+ notes = "cvd of 3c-sic on 6h-sic",
+}
+
+@Article{yuan95,
+ author = "C. Yuan and A. J. Steckl and J. Chaudhuri and R.
+ Thokala and M. J. Loboda",
+ collaboration = "",
+ title = "Reduced temperature growth of crystalline 3{C}-Si{C}
+ films on 6{H}-Si{C} by chemical vapor deposition from
+ silacyclobutane",
+ publisher = "AIP",
+ year = "1995",
+ journal = "Journal of Applied Physics",
+ volume = "78",
+ number = "2",
+ pages = "1271--1273",
+ keywords = "SILICON CARBIDES; THIN FILMS; CVD; EPITAXY; ABSORPTION
+ EDGE; CRYSTAL STRUCTURE; STRAINS; DISLOCATIONS; XRD;
+ SPECTROPHOTOMETRY",
+ URL = "http://link.aip.org/link/?JAP/78/1271/1",
+ doi = "10.1063/1.360368",
+ notes = "3c-sic on 6h-sic, cvd, reduced temperature",
}
@Article{fissel95,
number = "1-2",
pages = "72--80",
year = "1995",
- notes = "solid source mbe",
ISSN = "0022-0248",
doi = "DOI: 10.1016/0022-0248(95)00170-0",
URL = "http://www.sciencedirect.com/science/article/B6TJ6-3Y5MMXM-1N/2/65549019b878bf02d5ec645b7eea9e98",
author = "A. Fissel and U. Kaiser and E. Ducke and B. Schröter
and W. Richter",
+ notes = "solid source mbe of 3c-sic on si and 6h-sic",
+}
+
+@Article{fissel95_apl,
+ author = "A. Fissel and B. Schr{\"{o}}ter and W. Richter",
+ collaboration = "",
+ title = "Low-temperature growth of Si{C} thin films on Si and
+ 6{H}--Si{C} by solid-source molecular beam epitaxy",
+ publisher = "AIP",
+ year = "1995",
+ journal = "Applied Physics Letters",
+ volume = "66",
+ number = "23",
+ pages = "3182--3184",
+ keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
+ RHEED; NUCLEATION",
+ URL = "http://link.aip.org/link/?APL/66/3182/1",
+ doi = "10.1063/1.113716",
+ notes = "mbe 3c-sic on si and 6h-sic",
}
@Article{borders71,
number = "11",
pages = "509--511",
URL = "http://link.aip.org/link/?APL/18/509/1",
- notes = "first time sic by ibs",
doi = "10.1063/1.1653516",
+ notes = "first time sic by ibs, follow cites for precipitation
+ ideas",
}
@Article{reeson87,
notes = "charge transport in strained si",
}
-@Article{PhysRevB.69.155214,
+@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",
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",
month = oct,
doi = "10.1103/PhysRevB.56.8542",
publisher = "American Physical Society",
+ notes = "second si edip",
}
@Article{justo98,
month = aug,
doi = "10.1103/PhysRevB.58.2539",
publisher = "American Physical Society",
+ notes = "latest si edip, good dislocation explanation",
}
@Article{parcas_md,
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",
+ 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{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",
+}
+
+@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{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. Furthmüller",
+ 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",
+}
+
+@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",
}