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
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",
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",
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",
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",
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",
+}
projects / lectures / latex.git / blobdiff