% bibliography database
%
+@Article{schroedinger26,
+ author = "E. Schrödinger",
+ title = "Quantisierung als Eigenwertproblem",
+ journal = "Annalen der Physik",
+ volume = "384",
+ number = "4",
+ publisher = "WILEY-VCH Verlag",
+ ISSN = "1521-3889",
+ URL = "http://dx.doi.org/10.1002/andp.19263840404",
+ doi = "10.1002/andp.19263840404",
+ pages = "361--376",
+ year = "1926",
+}
+
+@Article{bloch29,
+ author = "Felix Bloch",
+ affiliation = "Institut d. Universität f. theor. Physik Leipzig",
+ title = "Über die Quantenmechanik der Elektronen in
+ Kristallgittern",
+ journal = "Zeitschrift für Physik A Hadrons and Nuclei",
+ publisher = "Springer Berlin / Heidelberg",
+ ISSN = "0939-7922",
+ keyword = "Physics and Astronomy",
+ pages = "555--600",
+ volume = "52",
+ issue = "7",
+ URL = "http://dx.doi.org/10.1007/BF01339455",
+ note = "10.1007/BF01339455",
+ year = "1929",
+}
+
@Article{albe_sic_pot,
author = "Paul Erhart and Karsten Albe",
title = "Analytical potential for atomistic simulations of
doi = "10.1103/PhysRevB.71.035211",
}
+@Article{erhart04,
+ title = "The role of thermostats in modeling vapor phase
+ condensation of silicon nanoparticles",
+ journal = "Applied Surface Science",
+ volume = "226",
+ number = "1-3",
+ pages = "12--18",
+ year = "2004",
+ note = "EMRS 2003 Symposium F, Nanostructures from Clusters",
+ ISSN = "0169-4332",
+ doi = "DOI: 10.1016/j.apsusc.2003.11.003",
+ URL = "http://www.sciencedirect.com/science/article/B6THY-4B957HV-8/2/b35dbe80a70d173f6f7a00dacbcbd738",
+ author = "Paul Erhart and Karsten Albe",
+}
+
@Article{albe2002,
title = "Modeling the metal-semiconductor interaction:
Analytical bond-order potential for platinum-carbon",
pages = "827--835",
month = mar,
year = "2003",
+ URL = "http://www.springerlink.com/content/jr8xj33mqc5vpwwj/",
notes = "dual implantation, sic prec enhanced by vacancies,
precipitation by interstitial and substitutional
carbon, both mechanisms explained + refs",
entropy calculations",
}
+@Article{munro99,
+ title = "Defect migration in crystalline silicon",
+ author = "Lindsey J. Munro and David J. Wales",
+ journal = "Phys. Rev. B",
+ volume = "59",
+ number = "6",
+ pages = "3969--3980",
+ numpages = "11",
+ year = "1999",
+ month = feb,
+ doi = "10.1103/PhysRevB.59.3969",
+ publisher = "American Physical Society",
+ notes = "eigenvector following method, vacancy and interstiial
+ defect migration mechanisms",
+}
+
@Article{colombo02,
title = "Tight-binding theory of native point defects in
silicon",
silicon, si self interstitials, free energy",
}
+@Article{mattsson08,
+ title = "Electronic surface error in the Si interstitial
+ formation energy",
+ author = "Ann E. Mattsson and Ryan R. Wixom and Rickard
+ Armiento",
+ journal = "Phys. Rev. B",
+ volume = "77",
+ number = "15",
+ pages = "155211",
+ numpages = "7",
+ year = "2008",
+ month = apr,
+ doi = "10.1103/PhysRevB.77.155211",
+ publisher = "American Physical Society",
+ notes = "si self interstitial formation energies by dft",
+}
+
@Article{goedecker02,
title = "A Fourfold Coordinated Point Defect in Silicon",
author = "Stefan Goedecker and Thierry Deutsch and Luc Billard",
author = "A. R. Bean and R. C. Newman",
}
+@Article{durand99,
+ author = "F. Durand and J. Duby",
+ affiliation = "EPM-Madylam, CNRS and INP Grenoble, France",
+ title = "Carbon solubility in solid and liquid silicon—{A}
+ review with reference to eutectic equilibrium",
+ journal = "Journal of Phase Equilibria",
+ publisher = "Springer New York",
+ ISSN = "1054-9714",
+ keyword = "Chemistry and Materials Science",
+ pages = "61--63",
+ volume = "20",
+ issue = "1",
+ URL = "http://dx.doi.org/10.1361/105497199770335956",
+ note = "10.1361/105497199770335956",
+ year = "1999",
+ notes = "better c solubility limit in silicon",
+}
+
@Article{watkins76,
title = "{EPR} Observation of the Isolated Interstitial Carbon
Atom in Silicon",
silicon",
}
+@Article{isomae93,
+ author = "Seiichi Isomae and Tsutomu Ishiba and Toshio Ando and
+ Masao Tamura",
+ collaboration = "",
+ title = "Annealing behavior of Me{V} implanted carbon in
+ silicon",
+ publisher = "AIP",
+ year = "1993",
+ journal = "Journal of Applied Physics",
+ volume = "74",
+ number = "6",
+ pages = "3815--3820",
+ keywords = "SILICON; ION IMPLANTATION; WAFERS; CARBON IONS; MEV
+ RANGE 0110; TEM; SIMS; INFRARED SPECTRA; STRAINS; DEPTH
+ PROFILES",
+ URL = "http://link.aip.org/link/?JAP/74/3815/1",
+ doi = "10.1063/1.354474",
+ notes = "c at interstitial location for rt implantation in si",
+}
+
@Article{strane96,
title = "Carbon incorporation into Si at high concentrations by
ion implantation and solid phase epitaxy",
notes = "c diffusion due to si self-interstitials",
}
+@Article{fukami90,
+ author = "Akira Fukami and Ken-ichi Shoji and Takahiro Nagano
+ and Cary Y. Yang",
+ collaboration = "",
+ title = "Characterization of SiGe/Si heterostructures formed by
+ Ge[sup + ] and {C}[sup + ] implantation",
+ publisher = "AIP",
+ year = "1990",
+ journal = "Applied Physics Letters",
+ volume = "57",
+ number = "22",
+ pages = "2345--2347",
+ keywords = "HETEROJUNCTIONS; ION IMPLANTATION; HETEROSTRUCTURES;
+ FABRICATION; PN JUNCTIONS; LEAKAGE CURRENT; GERMANIUM
+ SILICIDES; SILICON; ELECTRICAL PROPERTIES; SOLIDPHASE
+ EPITAXY; CARBON IONS; GERMANIUM IONS",
+ URL = "http://link.aip.org/link/?APL/57/2345/1",
+ doi = "10.1063/1.103888",
+}
+
+@Article{strane93,
+ author = "J. W. Strane and H. J. Stein and S. R. Lee and B. L.
+ Doyle and S. T. Picraux and J. W. Mayer",
+ collaboration = "",
+ title = "Metastable SiGe{C} formation by solid phase epitaxy",
+ publisher = "AIP",
+ year = "1993",
+ journal = "Applied Physics Letters",
+ volume = "63",
+ number = "20",
+ pages = "2786--2788",
+ keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; TERNARY ALLOY
+ SYSTEMS; EPITAXY; ION IMPLANTATION; METASTABLE STATES;
+ ANNEALING; TRANSMISSION ELECTRON MICROSCOPY; RUTHERFORD
+ SCATTERING; XRAY DIFFRACTION; STRAINS; SOLIDPHASE
+ EPITAXY; AMORPHIZATION",
+ URL = "http://link.aip.org/link/?APL/63/2786/1",
+ doi = "10.1063/1.110334",
+}
+
+@Article{goorsky92,
+ author = "M. S. Goorsky and S. S. Iyer and K. Eberl and F.
+ Legoues and J. Angilello and F. Cardone",
+ collaboration = "",
+ title = "Thermal stability of Si[sub 1 - x]{C}[sub x]/Si
+ strained layer superlattices",
+ publisher = "AIP",
+ year = "1992",
+ journal = "Applied Physics Letters",
+ volume = "60",
+ number = "22",
+ pages = "2758--2760",
+ keywords = "SILICON ALLOYS; CARBON ALLOYS; BINARY ALLOYS;
+ MOLECULAR BEAM EPITAXY; SUPERLATTICES; ANNEALING;
+ CHEMICAL COMPOSITION; INTERNAL STRAINS; STRESS
+ RELAXATION; THERMAL INSTABILITIES; INTERFACE STRUCTURE;
+ DIFFUSION; PRECIPITATION; TEMPERATURE EFFECTS",
+ URL = "http://link.aip.org/link/?APL/60/2758/1",
+ doi = "10.1063/1.106868",
+}
+
@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",
doi = "10.1063/1.1730376",
}
+@Article{horsfield96,
+ title = "Bond-order potentials: Theory and implementation",
+ author = "A. P. Horsfield and A. M. Bratkovsky and M. Fearn and
+ D. G. Pettifor and M. Aoki",
+ journal = "Phys. Rev. B",
+ volume = "53",
+ number = "19",
+ pages = "12694--12712",
+ numpages = "18",
+ year = "1996",
+ month = may,
+ doi = "10.1103/PhysRevB.53.12694",
+ publisher = "American Physical Society",
+}
+
+@Article{abell85,
+ title = "Empirical chemical pseudopotential theory of molecular
+ and metallic bonding",
+ author = "G. C. Abell",
+ journal = "Phys. Rev. B",
+ volume = "31",
+ number = "10",
+ pages = "6184--6196",
+ numpages = "12",
+ year = "1985",
+ month = may,
+ doi = "10.1103/PhysRevB.31.6184",
+ publisher = "American Physical Society",
+}
+
@Article{tersoff_si1,
title = "New empirical model for the structural properties of
silicon",
publisher = "American Physical Society",
}
+@Article{dodson87,
+ title = "Development of a many-body Tersoff-type potential for
+ silicon",
+ author = "Brian W. Dodson",
+ journal = "Phys. Rev. B",
+ volume = "35",
+ number = "6",
+ pages = "2795--2798",
+ numpages = "3",
+ year = "1987",
+ month = feb,
+ doi = "10.1103/PhysRevB.35.2795",
+ publisher = "American Physical Society",
+}
+
@Article{tersoff_si2,
title = "New empirical approach for the structure and energy of
covalent systems",
number = "1",
pages = "71--81",
URL = "http://www.informaworld.com/10.1080/00337578608209614",
- notes = "ibs, comparison with sio and sin, higher temp or
- time",
+ notes = "ibs, comparison with sio and sin, higher temp or time,
+ no c redistribution",
}
@Article{reeson87,
Netherlands",
title = "Boron implantations in silicon: {A} comparison of
charge carrier and boron concentration profiles",
- journal = "Applied Physics A: Materials Science \&
- Processing",
+ journal = "Applied Physics A: Materials Science \& Processing",
publisher = "Springer Berlin / Heidelberg",
ISSN = "0947-8396",
keyword = "Physics and Astronomy",
quasi-direct one",
}
+@Article{eberl92,
+ author = "K. Eberl and S. S. Iyer and S. Zollner and J. C. Tsang
+ and F. K. LeGoues",
+ collaboration = "",
+ title = "Growth and strain compensation effects in the ternary
+ Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloy system",
+ publisher = "AIP",
+ year = "1992",
+ journal = "Applied Physics Letters",
+ volume = "60",
+ number = "24",
+ pages = "3033--3035",
+ keywords = "SILICON ALLOYS; GERMANIUM ALLOYS; CARBON ALLOYS;
+ TERNARY ALLOYS; SEMICONDUCTOR ALLOYS; MOLECULAR BEAM
+ EPITAXY; INTERNAL STRAINS; TEMPERATURE EFFECTS; CRYSTAL
+ STRUCTURE; LATTICE PARAMETERS; XRAY DIFFRACTION; PHASE
+ STUDIES",
+ URL = "http://link.aip.org/link/?APL/60/3033/1",
+ doi = "10.1063/1.106774",
+}
+
+@Article{powell93,
+ author = "A. R. Powell and K. Eberl and F. E. LeGoues and B. A.
+ Ek and S. S. Iyer",
+ collaboration = "",
+ title = "Stability of strained Si[sub 1 - y]{C}[sub y] random
+ alloy layers",
+ publisher = "AVS",
+ year = "1993",
+ journal = "J. Vac. Sci. Technol. B",
+ volume = "11",
+ number = "3",
+ pages = "1064--1068",
+ location = "Ottawa (Canada)",
+ keywords = "SILICON ALLOYS; CARBON ALLOYS; STRAINS; THICKNESS;
+ METASTABLE PHASES; TWINNING; DISLOCATIONS; MOLECULAR
+ BEAM EPITAXY; EPITAXIAL LAYERS; CRITICAL PHENOMENA;
+ TEMPERATURE RANGE 400--1000 K; BINARY ALLOYS",
+ URL = "http://link.aip.org/link/?JVB/11/1064/1",
+ doi = "10.1116/1.587008",
+ notes = "substitutional c in si by mbe",
+}
+
+@Article{powell93_2,
+ title = "Si[sub 1-x-y]Ge[sub x]{C}[sub y] growth and properties
+ of the ternary system",
+ journal = "Journal of Crystal Growth",
+ volume = "127",
+ number = "1-4",
+ pages = "425--429",
+ year = "1993",
+ note = "",
+ ISSN = "0022-0248",
+ doi = "DOI: 10.1016/0022-0248(93)90653-E",
+ URL = "http://www.sciencedirect.com/science/article/B6TJ6-46J3RF2-8H/2/27fc231f28e4dc0a3b4770e5cf03257e",
+ author = "A. R. Powell and K. Eberl and B. A. Ek and S. S.
+ Iyer",
+}
+
+@Article{osten94,
+ author = "H. J. Osten",
+ title = "Modification of Growth Modes in Lattice-Mismatched
+ Epitaxial Systems: Si/Ge",
+ journal = "physica status solidi (a)",
+ volume = "145",
+ number = "2",
+ publisher = "WILEY-VCH Verlag",
+ ISSN = "1521-396X",
+ URL = "http://dx.doi.org/10.1002/pssa.2211450203",
+ doi = "10.1002/pssa.2211450203",
+ pages = "235--245",
+ year = "1994",
+}
+
+@Article{dietrich94,
+ title = "Lattice distortion in a strain-compensated
+ $Si_{1-x-y}$$Ge_{x}$${C}_{y}$ layer on silicon",
+ author = "B. Dietrich and H. J. Osten and H. R{\"u}cker and M.
+ Methfessel and P. Zaumseil",
+ journal = "Phys. Rev. B",
+ volume = "49",
+ number = "24",
+ pages = "17185--17190",
+ numpages = "5",
+ year = "1994",
+ month = jun,
+ doi = "10.1103/PhysRevB.49.17185",
+ publisher = "American Physical Society",
+}
+
+@Article{osten94_2,
+ author = "H. J. Osten and E. Bugiel and P. Zaumseil",
+ collaboration = "",
+ title = "Growth of an inverse tetragonal distorted SiGe layer
+ on Si(001) by adding small amounts of carbon",
+ publisher = "AIP",
+ year = "1994",
+ journal = "Applied Physics Letters",
+ volume = "64",
+ number = "25",
+ pages = "3440--3442",
+ keywords = "SILICON ALLOYS; GERMANIUM ALLOYS; FILM GROWTH; CARBON
+ ALLOYS; TERNARY ALLOYS; MOLECULAR BEAM EPITAXY; TEM;
+ XRD; LATTICE PARAMETERS; EPITAXIAL LAYERS; TETRAGONAL
+ LATTICES",
+ URL = "http://link.aip.org/link/?APL/64/3440/1",
+ doi = "10.1063/1.111235",
+ notes = "inversely strained / distorted heterostructure",
+}
+
+@Article{iyer92,
+ author = "S. S. Iyer and K. Eberl and M. S. Goorsky and F. K.
+ LeGoues and J. C. Tsang and F. Cardone",
+ collaboration = "",
+ title = "Synthesis of Si[sub 1 - y]{C}[sub y] alloys by
+ molecular beam epitaxy",
+ publisher = "AIP",
+ year = "1992",
+ journal = "Applied Physics Letters",
+ volume = "60",
+ number = "3",
+ pages = "356--358",
+ keywords = "SILICON ALLOYS; CARBON ALLOYS; BINARY ALLOYS;
+ SEMICONDUCTOR ALLOYS; SUPERLATTICES; MOLECULAR BEAM
+ EPITAXY; CHEMICAL COMPOSITION; TEMPERATURE EFFECTS;
+ FILM GROWTH; MICROSTRUCTURE",
+ URL = "http://link.aip.org/link/?APL/60/356/1",
+ doi = "10.1063/1.106655",
+}
+
@Article{osten99,
author = "H. J. Osten and J. Griesche and S. Scalese",
collaboration = "",
compounds",
URL = "http://link.aip.org/link/?APL/74/836/1",
doi = "10.1063/1.123384",
- notes = "substitutional c in si",
+ notes = "substitutional c in si by mbe",
+}
+
+@Article{born27,
+ author = "M. Born and R. Oppenheimer",
+ title = "Zur Quantentheorie der Molekeln",
+ journal = "Annalen der Physik",
+ volume = "389",
+ number = "20",
+ publisher = "WILEY-VCH Verlag",
+ ISSN = "1521-3889",
+ URL = "http://dx.doi.org/10.1002/andp.19273892002",
+ doi = "10.1002/andp.19273892002",
+ pages = "457--484",
+ year = "1927",
}
@Article{hohenberg64,
notes = "density functional theory, dft",
}
+@Article{thomas27,
+ title = "The calculation of atomic fields",
+ author = "L. H. Thomas",
+ journal = "Mathematical Proceedings of the Cambridge
+ Philosophical Society",
+ volume = "23",
+ pages = "542--548",
+ year = "1927",
+ doi = "10.1017/S0305004100011683",
+}
+
+@Article{fermi27,
+ title = "",
+ author = "E. Fermi",
+ journal = "Atti Accad. Naz. Lincei, Cl. Sci. Fis. Mat. Nat.
+ Rend.",
+ volume = "6",
+ pages = "602",
+ year = "1927",
+}
+
+@Article{hartree28,
+ title = "The Wave Mechanics of an Atom with a Non-Coulomb
+ Central Field. Part {I}. Theory and Methods",
+ author = "D. R. Hartree",
+ journal = "Mathematical Proceedings of the Cambridge
+ Philosophical Society",
+ volume = "24",
+ pages = "89--110",
+ year = "1928",
+ doi = "10.1017/S0305004100011919",
+}
+
+@Article{slater29,
+ title = "The Theory of Complex Spectra",
+ author = "J. C. Slater",
+ journal = "Phys. Rev.",
+ volume = "34",
+ number = "10",
+ pages = "1293--1322",
+ numpages = "29",
+ year = "1929",
+ month = nov,
+ doi = "10.1103/PhysRev.34.1293",
+ publisher = "American Physical Society",
+}
+
@Article{kohn65,
title = "Self-Consistent Equations Including Exchange and
Correlation Effects",
notes = "dft, exchange and correlation",
}
+@Article{kohn96,
+ title = "Density Functional and Density Matrix Method Scaling
+ Linearly with the Number of Atoms",
+ author = "W. Kohn",
+ journal = "Phys. Rev. Lett.",
+ volume = "76",
+ number = "17",
+ pages = "3168--3171",
+ numpages = "3",
+ year = "1996",
+ month = apr,
+ doi = "10.1103/PhysRevLett.76.3168",
+ publisher = "American Physical Society",
+}
+
+@Article{kohn98,
+ title = "Edge Electron Gas",
+ author = "Walter Kohn and Ann E. Mattsson",
+ journal = "Phys. Rev. Lett.",
+ volume = "81",
+ number = "16",
+ pages = "3487--3490",
+ numpages = "3",
+ year = "1998",
+ month = oct,
+ doi = "10.1103/PhysRevLett.81.3487",
+ publisher = "American Physical Society",
+}
+
+@Article{kohn99,
+ title = "Nobel Lecture: Electronic structure of matter---wave
+ functions and density functionals",
+ author = "W. Kohn",
+ journal = "Rev. Mod. Phys.",
+ volume = "71",
+ number = "5",
+ pages = "1253--1266",
+ numpages = "13",
+ year = "1999",
+ month = oct,
+ doi = "10.1103/RevModPhys.71.1253",
+ publisher = "American Physical Society",
+}
+
+@Article{payne92,
+ title = "Iterative minimization techniques for ab initio
+ total-energy calculations: molecular dynamics and
+ conjugate gradients",
+ author = "M. C. Payne and M. P. Teter and D. C. Allan and T. A.
+ Arias and J. D. Joannopoulos",
+ journal = "Rev. Mod. Phys.",
+ volume = "64",
+ number = "4",
+ pages = "1045--1097",
+ numpages = "52",
+ year = "1992",
+ month = oct,
+ doi = "10.1103/RevModPhys.64.1045",
+ publisher = "American Physical Society",
+}
+
+@Article{levy82,
+ title = "Electron densities in search of Hamiltonians",
+ author = "Mel Levy",
+ journal = "Phys. Rev. A",
+ volume = "26",
+ number = "3",
+ pages = "1200--1208",
+ numpages = "8",
+ year = "1982",
+ month = sep,
+ doi = "10.1103/PhysRevA.26.1200",
+ publisher = "American Physical Society",
+}
+
@Article{ruecker94,
title = "Strain-stabilized highly concentrated pseudomorphic
$Si1-x$$Cx$ layers in Si",
si, dft",
}
+@Article{yagi02,
+ title = "Phosphorous Doping of Strain-Induced
+ Si$_{1-y}${C}$_{y}$ Epitaxial Films Grown\\
+ by Low-Temperature Chemical Vapor Deposition",
+ author = "Shuhei Yagi and Katsuya Abe and Takashi Okabayashi and
+ Yuichi Yoneyama and Akira Yamada and Makoto Konagai",
+ journal = "Japanese Journal of Applied Physics",
+ volume = "41",
+ number = "Part 1, No. 4B",
+ pages = "2472--2475",
+ numpages = "3",
+ year = "2002",
+ URL = "http://jjap.jsap.jp/link?JJAP/41/2472/",
+ doi = "10.1143/JJAP.41.2472",
+ publisher = "The Japan Society of Applied Physics",
+ notes = "experimental charge carrier mobility in strained si",
+}
+
@Article{chang05,
title = "Electron Transport Model for Strained Silicon-Carbon
Alloy",
URL = "http://jjap.ipap.jp/link?JJAP/44/2257/",
doi = "10.1143/JJAP.44.2257",
publisher = "The Japan Society of Applied Physics",
- notes = "enhance of electron mobility in starined si",
+ notes = "enhance of electron mobility in strained si",
+}
+
+@Article{kissinger94,
+ author = "W. Kissinger and M. Weidner and H. J. Osten and M.
+ Eichler",
+ collaboration = "",
+ title = "Optical transitions in strained Si[sub 1 - y]{C}[sub
+ y] layers on Si(001)",
+ publisher = "AIP",
+ year = "1994",
+ journal = "Applied Physics Letters",
+ volume = "65",
+ number = "26",
+ pages = "3356--3358",
+ keywords = "SILICON CARBIDES; INTERNAL STRAINS; EPITAXIAL LAYERS;
+ CHEMICAL COMPOSITION; ELLIPSOMETRY; REFLECTION
+ SPECTROSCOPY; ELECTROOPTICAL EFFECTS; BAND STRUCTURE;
+ ENERGY LEVELS; ENERGYLEVEL TRANSITIONS",
+ URL = "http://link.aip.org/link/?APL/65/3356/1",
+ doi = "10.1063/1.112390",
+ notes = "strained si influence on optical properties",
+}
+
+@Article{osten96,
+ author = "H. J. Osten and Myeongcheol Kim and K. Pressel and P.
+ Zaumseil",
+ collaboration = "",
+ title = "Substitutional versus interstitial carbon
+ incorporation during pseudomorphic growth of Si[sub 1 -
+ y]{C}[sub y] on Si(001)",
+ publisher = "AIP",
+ year = "1996",
+ journal = "Journal of Applied Physics",
+ volume = "80",
+ number = "12",
+ pages = "6711--6715",
+ keywords = "SILICON CARBIDES; CRYSTAL DEFECTS; FILM GROWTH;
+ MOLECULAR BEAM EPITAXY; INTERSTITIALS; SUBSTITUTION;
+ XRD; STRAINS",
+ URL = "http://link.aip.org/link/?JAP/80/6711/1",
+ doi = "10.1063/1.363797",
+ notes = "mbe substitutional vs interstitial c incorporation",
}
@Article{osten97,
notes = "paw method",
}
+@InCollection{cohen70,
+ title = "The Fitting of Pseudopotentials to Experimental Data
+ and Their Subsequent Application",
+ editor = "Frederick Seitz Henry Ehrenreich and David Turnbull",
+ booktitle = "",
+ publisher = "Academic Press",
+ year = "1970",
+ volume = "24",
+ pages = "37--248",
+ series = "Solid State Physics",
+ ISSN = "0081-1947",
+ doi = "DOI: 10.1016/S0081-1947(08)60070-3",
+ URL = "http://www.sciencedirect.com/science/article/B8GXT-4S9NXKG-9/2/ba01db77c8b19c2bab01506d4ea571b3",
+ author = "Marvin L. Cohen and Volker Heine",
+}
+
@Article{hamann79,
title = "Norm-Conserving Pseudopotentials",
author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
notes = "norm-conserving pseudopotentials",
}
+@Article{troullier91,
+ title = "Efficient pseudopotentials for plane-wave
+ calculations",
+ author = "N. Troullier and Jos\'e Luriaas Martins",
+ journal = "Phys. Rev. B",
+ volume = "43",
+ number = "3",
+ pages = "1993--2006",
+ numpages = "13",
+ year = "1991",
+ month = jan,
+ doi = "10.1103/PhysRevB.43.1993",
+ publisher = "American Physical Society",
+}
+
@Article{vanderbilt90,
title = "Soft self-consistent pseudopotentials in a generalized
eigenvalue formalism",
notes = "vasp pseudopotentials",
}
+@Article{ceperley80,
+ title = "Ground State of the Electron Gas by a Stochastic
+ Method",
+ author = "D. M. Ceperley and B. J. Alder",
+ journal = "Phys. Rev. Lett.",
+ volume = "45",
+ number = "7",
+ pages = "566--569",
+ numpages = "3",
+ year = "1980",
+ month = aug,
+ doi = "10.1103/PhysRevLett.45.566",
+ publisher = "American Physical Society",
+}
+
+@Article{perdew81,
+ title = "Self-interaction correction to density-functional
+ approximations for many-electron systems",
+ author = "J. P. Perdew and Alex Zunger",
+ journal = "Phys. Rev. B",
+ volume = "23",
+ number = "10",
+ pages = "5048--5079",
+ numpages = "31",
+ year = "1981",
+ month = may,
+ doi = "10.1103/PhysRevB.23.5048",
+ publisher = "American Physical Society",
+}
+
@Article{perdew86,
title = "Accurate and simple density functional for the
electronic exchange energy: Generalized gradient
notes = "gga pw91 (as in vasp)",
}
+@Article{chadi73,
+ title = "Special Points in the Brillouin Zone",
+ author = "D. J. Chadi and Marvin L. Cohen",
+ journal = "Phys. Rev. B",
+ volume = "8",
+ number = "12",
+ pages = "5747--5753",
+ numpages = "6",
+ year = "1973",
+ month = dec,
+ doi = "10.1103/PhysRevB.8.5747",
+ publisher = "American Physical Society",
+}
+
@Article{baldereschi73,
title = "Mean-Value Point in the Brillouin Zone",
author = "A. Baldereschi",
notes = "mean value k point",
}
+@Article{monkhorst76,
+ title = "Special points for Brillouin-zone integrations",
+ author = "Hendrik J. Monkhorst and James D. Pack",
+ journal = "Phys. Rev. B",
+ volume = "13",
+ number = "12",
+ pages = "5188--5192",
+ numpages = "4",
+ year = "1976",
+ month = jun,
+ doi = "10.1103/PhysRevB.13.5188",
+ publisher = "American Physical Society",
+}
+
@Article{zhu98,
title = "Ab initio pseudopotential calculations of dopant
diffusion in Si",
eprint = "http://journals.cambridge.org/article_S1946427400543681",
}
+@Article{mukashev82,
+ title = "Defects in Carbon-Implanted Silicon",
+ author = "Bulat N. Mukashev and Alexey V. Spitsyn and Noboru
+ Fukuoka and Haruo Saito",
+ journal = "Japanese Journal of Applied Physics",
+ volume = "21",
+ number = "Part 1, No. 2",
+ pages = "399--400",
+ numpages = "1",
+ year = "1982",
+ URL = "http://jjap.jsap.jp/link?JJAP/21/399/",
+ doi = "10.1143/JJAP.21.399",
+ publisher = "The Japan Society of Applied Physics",
+}
+
@Article{puska98,
title = "Convergence of supercell calculations for point
defects in semiconductors: Vacancy in silicon",
URL = "http://link.aip.org/link/?JAP/77/2978/1",
doi = "10.1063/1.358714",
}
+
+@Article{romano-rodriguez96,
+ title = "Detailed analysis of [beta]-Si{C} formation by high
+ dose carbon ion implantation in silicon",
+ journal = "Materials Science and Engineering B",
+ volume = "36",
+ number = "1-3",
+ pages = "282--285",
+ year = "1996",
+ note = "European Materials Research Society 1995 Spring
+ Meeting, Symposium N: Carbon, Hydrogen, Nitrogen, and
+ Oxygen in Silicon and in Other Elemental
+ Semiconductors",
+ ISSN = "0921-5107",
+ doi = "DOI: 10.1016/0921-5107(95)01283-4",
+ URL = "http://www.sciencedirect.com/science/article/B6TXF-3VR7691-25/2/995fd57b9e5c1100558f80c472620408",
+ author = "A. Romano-Rodriguez and C. Serre and L. Calvo-Barrio
+ and A. Pérez-Rodríguez and J. R. Morante and R. Kögler
+ and W. Skorupa",
+ keywords = "Silicon",
+ keywords = "Ion implantation",
+ notes = "incoherent 3c-sic precipitate",
+}
+
+@Article{davidson75,
+ title = "The iterative calculation of a few of the lowest
+ eigenvalues and corresponding eigenvectors of large
+ real-symmetric matrices",
+ journal = "Journal of Computational Physics",
+ volume = "17",
+ number = "1",
+ pages = "87--94",
+ year = "1975",
+ note = "",
+ ISSN = "0021-9991",
+ doi = "DOI: 10.1016/0021-9991(75)90065-0",
+ URL = "http://www.sciencedirect.com/science/article/pii/0021999175900650",
+ author = "Ernest R. Davidson",
+}