X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=blobdiff_plain;f=bibdb%2Fbibdb.bib;h=a9c22cf18d6f4db8c6102133c1ef21dcf66fdafa;hp=43e28733e9ed380d5bba2b4c24cad0e7bf350af6;hb=c38f4104c68570008e0514ae0930abf10f8956f5;hpb=13635b6d1566c0c889468fe292fe1b8336d058ee diff --git a/bibdb/bibdb.bib b/bibdb/bibdb.bib index 43e2873..a9c22cf 100644 --- a/bibdb/bibdb.bib +++ b/bibdb/bibdb.bib @@ -1367,6 +1367,50 @@ polytypes", } +@Misc{talk2004, + title = "{Monte-Carlo-Simulation der Selbstorganisation + amorpher nonometrischer SiC$_x$-Ausscheidungen in + Silizium w{\"a}hrend C$^+$-Ionen-Implantation}", + author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner + and B. Stritzker", + year = "2004", + month = "02", + note = "AKF-Fr{\"u}hjahrstagung der DPG, Regensburg, 02/2004, + DS 1.4", +} + +@Misc{talk2005, + title = "{Kinetik des Selbstorganisationsvorganges bei der + Bildung von SiC$_x$-Ausscheidungs-Arrays in + C$^+$-Ionen-implantierten Silizium}", + author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner + and B. Stritzker", + year = "2005", + month = "02", + note = "69. Jahrestagung der DPG, Berlin, 02/2005, DS 8.6", +} + +@Misc{talk2008, + title = "Molecular dynamics simulation study of the silicon + carbide precipitation process", + author = "F. Zirkelbach and J. K. N. Lindner and K. Nordlund and + B. Stritzker", + year = "2008", + month = "01", + note = "72. Annual Meeting and DPG-Spring Meeting 2008, + Berlin, 01/2008, DS 42.2", +} + +@Misc{poster2006, + title = "Monte Carlo simulation study of a selforganization + process leading to ordered precipitate structures", + author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner + and B. Stritzker", + year = "2006", + month = "09", + note = "IBMM 2006, Taormina (Sicily), 09/2006, M243", +} + @Article{zirkelbach2007, title = "Monte Carlo simulation study of a selforganisation process leading to ordered precipitate structures", @@ -1593,6 +1637,88 @@ processes involved in the silicon carbide transition.", } +@Article{zirkelbach12, + author = "F. Zirkelbach and B. Stritzker and K. Nordlund and W. + G. Schmidt and E. Rauls and J. K. N. Lindner", + title = "First-principles and empirical potential simulation + study of intrinsic and carbon-related defects in + silicon", + journal = "phys. status solidi (c)", + volume = "9", + number = "10-11", + publisher = "WILEY-VCH Verlag", + ISSN = "1610-1642", + URL = "http://dx.doi.org/10.1002/pssc.201200198", + doi = "10.1002/pssc.201200198", + pages = "1968--1973", + keywords = "silicon, carbon, silicon carbide, defect formation, + defect migration, density functional theory, empirical + potential, molecular dynamics", + year = "2012", + abstract = "Results of atomistic simulations aimed at + understanding precipitation of the highly attractive + wide band gap semiconductor material silicon carbide in + silicon are presented. The study involves a systematic + investigation of intrinsic and carbon-related defects + as well as defect combinations and defect migration by + both, quantummechanical first-principles as well as + empirical potential methods. Comparing formation and + activation energies, ground-state structures of defects + and defect combinations as well as energetically + favorable agglomeration of defects are predicted. + Moreover, accurate ab initio calculations unveil + limitations of the analytical method based on a + Tersoff-like bond order potential. A work-around is + proposed in order to subsequently apply the highly + efficient technique on large structures not accessible + by first-principles methods. The outcome of both types + of simulation provides a basic microscopic + understanding of defect formation and structural + evolution particularly at non-equilibrium conditions + strongly deviated from the ground state as commonly + found in SiC growth processes. A possible precipitation + mechanism, which conforms well to experimental findings + and clarifies contradictory views present in the + literature is outlined (© 2012 WILEY-VCH Verlag GmbH \& + Co. KGaA, Weinheim)", +} + +@Article{zirkelbach14, + author = "F. Zirkelbach and P.-Y. Prodhomme and P. Han and R. + Cherian and G. Bester", + title = "Large-scale Atomic Effective Pseudopotential Program + ({LATEPP}) including an efficient spin-orbit coupling + treatment in real space", + journal = "to be published", + year = "2014", + abstract = "Within the scheme of the {\em Large-scale Atomic + Effective Pseudopotential Program}, the Schr{\"o}dinger + equation of an electronic system is solved within an + effective single-particle approach. Although not + limited to, it focuses on the recently introduced + atomic effective pseudopotentials derived from screened + local effective crystal potentials as obtained from + self-consistent density functional theory calculations. + Plane waves are used to expand the wavefunctions. The + problem can be solved in both, real and reciprocal + space. Using atomic effective pseudopotentials, a + self-consistency cycle is not required, which + drastically reduces the computational effort. + Furthermore, without having to find a self-consistent + solution, which would require the determination of all + eigenstates, iterative solvers can be used to focus + only on a few eigenstates in the vicinity of a + reference energy, e.g.\ around the band gap of a + semiconductor. Hence, this approach is particularly + well suited for theoretical investigations of the + electronic structure of semiconductor nanostructures + consisting of up to several thousands of atoms. + Moreover, a novel and efficient real space treatment of + spin-orbit coupling within the pseudopotential + framework is proposed in this work allowing for a fully + relativistic description.", +} + @Article{lindner95, author = "J. K. N. Lindner and A. Frohnwieser and B. Rauschenbach and B. Stritzker", @@ -4054,7 +4180,42 @@ author = "Marvin L. Cohen and Volker Heine", } -%@Article{hamann79, +@Book{delerue04, + title = "Nanostructures: Theory and Modelling", + author = "Christophe Delerue and Michel Lannoo", + year = "2004", + publisher = "Springer", +} + +@Article{klimeck02, + title = "Development of a nanoelectronic 3-{D} ({NEMO} 3-{D}) + simulator for multimillion atom simulations and its + application to alloyed quantum dots", + author = "Gerhard Klimeck and Fabiano Oyafuso and Timothy B + Boykin and R Chris Bowen and Paul von Allmen", + year = "2002", + journal = "Comput. Modeling Eng. Sci.", + volume = "3", + pages = "601", +} + +@Article{klimeck07, + title = "Atomistic simulation of realistically sized + nanodevices using {NEMO} 3-{D}¿Part {I}: Models and + benchmarks", + author = "Gerhard Klimeck and Shaikh Shahid Ahmed and Hansang + Bae and Neerav Kharche and Steve Clark and Benjamin + Haley and Sunhee Lee and Maxim Naumov and Hoon Ryu and + Faisal Saied and others", + journal = "Electron Devices, IEEE Transactions on", + volume = "54", + number = "9", + pages = "2079--2089", + year = "2007", + publisher = "IEEE", +} + +@Article{hamann79, title = "Norm-Conserving Pseudopotentials", author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang", journal = "Phys. Rev. Lett.", @@ -5518,7 +5679,7 @@ @Article{zunger01, author = "Alex Zunger", title = "Pseudopotential Theory of Semiconductor Quantum Dots", - journal = "physica status solidi (b)", + journal = "phys. status solidi (b)", volume = "224", number = "3", publisher = "WILEY-VCH Verlag Berlin GmbH", @@ -5532,6 +5693,22 @@ notes = "configuration-interaction method, ci", } +@Article{zunger02, + author = "Alex Zunger", + title = "On the Farsightedness (hyperopia) of the Standard k · + p Model", + journal = "phys. status solidi (a)", + volume = "190", + number = "2", + publisher = "WILEY-VCH Verlag Berlin GmbH", + ISSN = "1521-396X", + URL = "http://dx.doi.org/10.1002/1521-396X(200204)190:2<467::AID-PSSA467>3.0.CO;2-4", + doi = "10.1002/1521-396X(200204)190:2<467::AID-PSSA467>3.0.CO;2-4", + pages = "467--475", + keywords = "73.20.At, 73.21.Cd, 73.21.La, 73.22.¿b, 78.20.Bh", + year = "2002", +} + @Article{robertson90, author = "I. J. Robertson and M. C. Payne", title = "k-point sampling and the k.p method in pseudopotential @@ -5579,6 +5756,22 @@ notes = "non-orthogonal basis set", } +@Article{artacho99, + author = "E. Artacho and D. Sánchez-Portal and P. Ordejón and + A. García and J. M. Soler", + title = "Linear-Scaling ab-initio Calculations for Large and + Complex Systems", + journal = "physica status solidi (b)", + volume = "215", + number = "1", + publisher = "WILEY-VCH Verlag", + ISSN = "1521-3951", + URL = "http://dx.doi.org/10.1002/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0.CO;2-0", + doi = "10.1002/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0.CO;2-0", + pages = "809--817", + year = "1999", +} + @Article{loewdin50, author = "Per-Olov L{\"{o}}wdin", collaboration = "", @@ -5721,6 +5914,29 @@ pages = "8503--8513", } +@Article{gonze09, + title = "{ABINIT}: First-principles approach to material and + nanosystem properties", + journal = "Computer Physics Communications", + volume = "180", + number = "12", + pages = "2582--2615", + year = "2009", + ISSN = "0010-4655", + doi = "http://dx.doi.org/10.1016/j.cpc.2009.07.007", + URL = "http://www.sciencedirect.com/science/article/pii/S0010465509002276", + author = "X. Gonze and B. Amadon and P.-M. Anglade and J.-M. + Beuken and F. Bottin and P. Boulanger and F. Bruneval + and D. Caliste and R. Caracas and M. Côté and T. + Deutsch and L. Genovese and Ph. Ghosez and M. + Giantomassi and S. Goedecker and D. R. Hamann and P. + Hermet and F. Jollet and G. Jomard and S. Leroux and M. + Mancini and S. Mazevet and M. J. T. Oliveira and G. + Onida and Y. Pouillon and T. Rangel and G.-M. Rignanese + and D. Sangalli and R. Shaltaf and M. Torrent and M. J. + Verstraete and G. Zerah and J. W. Zwanziger", +} + @Article{wannier37, volume = "52", journal = "Phys. Rev.", @@ -5811,6 +6027,38 @@ notes = "spin orbit pseudopotential formulation", } +@Article{cardona88, + title = "Relativistic band structure and spin-orbit splitting + of zinc-blende-type semiconductors", + author = "M. Cardona and N. E. Christensen and G. Fasol", + journal = "Phys. Rev. B", + volume = "38", + issue = "3", + pages = "1806--1827", + year = "1988", + month = jul, + doi = "10.1103/PhysRevB.38.1806", + URL = "http://link.aps.org/doi/10.1103/PhysRevB.38.1806", + publisher = "American Physical Society", + notes = "fully relativistic band structures of zinc blende + semiconductors", +} + +@Article{hemstreet93, + title = "First-principles calculations of spin-orbit splittings + in solids using nonlocal separable pseudopotentials", + author = "L. A. Hemstreet and C. Y. Fong and J. S. Nelson", + journal = "Phys. Rev. B", + volume = "47", + issue = "8", + pages = "4238--4243", + year = "1993", + month = feb, + doi = "10.1103/PhysRevB.47.4238", + URL = "http://link.aps.org/doi/10.1103/PhysRevB.47.4238", + publisher = "American Physical Society", +} + @Article{naveh07, title = "Real-space pseudopotential method for spin-orbit coupling within density functional theory", @@ -5829,6 +6077,72 @@ notes = "real space spin orbit pseudopotential implementation", } +@Article{verstraete08, + title = "Density functional perturbation theory with spin-orbit + coupling: Phonon band structure of lead", + author = "Matthieu J. Verstraete and Marc Torrent and + Fran\mbox{\c{c}}ois Jollet and Gilles Z\'erah and + Xavier Gonze", + journal = "Phys. Rev. B", + volume = "78", + issue = "4", + pages = "045119", + numpages = "9", + year = "2008", + month = jul, + doi = "10.1103/PhysRevB.78.045119", + URL = "http://link.aps.org/doi/10.1103/PhysRevB.78.045119", + publisher = "American Physical Society", +} + +@Article{cuadrado12, + author = "R. Cuadrado and J. I. Cerdá", + title = "Fully relativistic pseudopotential formalism under an + atomic orbital basis: spin-orbit splittings and + magnetic anisotropies", + journal = "Journal of Physics: Condensed Matter", + volume = "24", + number = "8", + pages = "086005", + URL = "http://stacks.iop.org/0953-8984/24/i=8/a=086005", + year = "2012", +} + +@Article{canning00, + title = "Parallel Empirical Pseudopotential Electronic + Structure Calculations for Million Atom Systems", + journal = "Journal of Computational Physics", + volume = "160", + number = "1", + pages = "29--41", + year = "2000", + note = "", + ISSN = "0021-9991", + doi = "http://dx.doi.org/10.1006/jcph.2000.6440", + URL = "http://www.sciencedirect.com/science/article/pii/S0021999100964404", + author = "A. Canning and L. W. Wang and A. Williamson and A. + Zunger", +} + +@Article{oliveira08, + title = "Generating relativistic pseudo-potentials with + explicit incorporation of semi-core states using {APE}, + the Atomic Pseudo-potentials Engine", + journal = "Computer Physics Communications", + volume = "178", + number = "7", + pages = "524--534", + year = "2008", + note = "", + ISSN = "0010-4655", + doi = "http://dx.doi.org/10.1016/j.cpc.2007.11.003", + URL = "http://www.sciencedirect.com/science/article/pii/S0010465507004651", + author = "Micael J. T. Oliveira and Fernando Nogueira", + keywords = "Pseudo-potential", + keywords = "Electronic structure", + keywords = "Density functional", +} + @Article{fornberg88, author = "Bengt Fornberg", title = "Generation of finite difference formulas on @@ -5973,6 +6287,45 @@ publisher = "American Physical Society", } +@Misc{aep12, + title = "Atomic effective pseudopotentials for semiconductors", + author = "J. R. C\'ardenas and G. Bester", + year = "2012", + month = sep, + URL = "http://www.fkf.mpg.de/bester/downloads/downloads.html", + eprint = "http://www.fkf.mpg.de/bester/downloads/downloads.html", +} + +@Article{bester05, + title = "Cylindrically shaped zinc-blende semiconductor quantum + dots do not have cylindrical symmetry:\quad{}Atomistic + symmetry, atomic relaxation, and piezoelectric + effects", + author = "Gabriel Bester and Alex Zunger", + journal = "Phys. Rev. B", + volume = "71", + issue = "4", + pages = "045318", + numpages = "12", + year = "2005", + month = jan, + doi = "10.1103/PhysRevB.71.045318", + URL = "http://link.aps.org/doi/10.1103/PhysRevB.71.045318", + publisher = "American Physical Society", +} + +@Article{bester09, + author = "Gabriel Bester", + title = "Electronic excitations in nanostructures: an empirical + pseudopotential based approach", + journal = "Journal of Physics: Condensed Matter", + volume = "21", + number = "2", + pages = "023202", + URL = "http://stacks.iop.org/0953-8984/21/i=2/a=023202", + year = "2009", +} + @Article{cohen66, title = "Band Structures and Pseudopotential Form Factors for Fourteen Semiconductors of the Diamond and Zinc-blende @@ -5989,6 +6342,35 @@ publisher = "American Physical Society", } +@Article{maeder94, + title = "Empirical atomic pseudopotentials for AlAs/GaAs + superlattices, alloys, and nanostructures", + author = "Kurt A. M{\"a}der and Alex Zunger", + journal = "Phys. Rev. B", + volume = "50", + issue = "23", + pages = "17393--17405", + year = "1994", + month = dec, + doi = "10.1103/PhysRevB.50.17393", + URL = "http://link.aps.org/doi/10.1103/PhysRevB.50.17393", + publisher = "American Physical Society", +} + +@Article{wang94_2, + author = "Lin Wang Wang and Alex Zunger", + title = "Electronic Structure Pseudopotential Calculations of + Large (.apprx.1000 Atoms) Si Quantum Dots", + journal = "The Journal of Physical Chemistry", + volume = "98", + number = "8", + pages = "2158--2165", + year = "1994", + doi = "10.1021/j100059a032", + URL = "http://pubs.acs.org/doi/abs/10.1021/j100059a032", + eprint = "http://pubs.acs.org/doi/pdf/10.1021/j100059a032", +} + @Article{wang95, title = "Local-density-derived semiempirical pseudopotentials", author = "Lin-Wang Wang and Alex Zunger", @@ -6002,3 +6384,790 @@ URL = "http://link.aps.org/doi/10.1103/PhysRevB.51.17398", publisher = "American Physical Society", } + +@Article{wang99, + title = "Linear combination of bulk bands method for + large-scale electronic structure calculations on + strained nanostructures", + author = "Lin-Wang Wang and Alex Zunger", + journal = "Phys. Rev. B", + volume = "59", + issue = "24", + pages = "15806--15818", + year = "1999", + month = jun, + doi = "10.1103/PhysRevB.59.15806", + URL = "http://link.aps.org/doi/10.1103/PhysRevB.59.15806", + publisher = "American Physical Society", +} + +@Article{franceschetti99, + title = "Many-body pseudopotential theory of excitons in In{P} + and CdSe quantum dots", + author = "A. Franceschetti and H. Fu and L. W. Wang and A. + Zunger", + journal = "Phys. Rev. B", + volume = "60", + issue = "3", + pages = "1819--1829", + year = "1999", + month = jul, + doi = "10.1103/PhysRevB.60.1819", + URL = "http://link.aps.org/doi/10.1103/PhysRevB.60.1819", + publisher = "American Physical Society", +} + +@Article{wang94, + author = "Lin-Wang Wang and Alex Zunger", + collaboration = "", + title = "Solving Schr[o-umlaut]dinger's equation around a + desired energy: Application to silicon quantum dots", + publisher = "AIP", + year = "1994", + journal = "The Journal of Chemical Physics", + volume = "100", + number = "3", + pages = "2394--2397", + keywords = "SCHROEDINGER EQUATION; SILICON; ONEDIMENSIONAL + CALCULATIONS; USES; ENERGY LEVELS; EIGENVALUES; + ELECTRONIC STRUCTURE; CALCULATION METHODS; PLANE WAVES; + PSEUDOPOTENTIAL", + URL = "http://link.aip.org/link/?JCP/100/2394/1", + doi = "10.1063/1.466486", +} + +@Article{jacobi1845, + author = "C. G. J. Jacobi", + title = "Ueber eine neue Auflösungsart der bei der Methode der + kleinsten Quadrate vorkommenden lineären Gleichungen", + journal = "Astronom. Nachr.", + volume = "22", + number = "20", + publisher = "WILEY-VCH Verlag", + ISSN = "1521-3994", + URL = "http://dx.doi.org/10.1002/asna.18450222002", + doi = "10.1002/asna.18450222002", + pages = "297--306", + year = "1845", +} + +@Article{jacobi1846, + author = "C. G. J. Jacobi", + title = "{\"U}ber ein leichtes Verfahren die in der Theorie der + {S}{\"a}cularst{\"o}rungen vorkommenden Gleichungen + numerisch aufzul{\"o}sen", + journal = "J. Reine und Angew. Math.", + volume = "1846", + number = "30", + URL = "http://www.degruyter.com/view/j/crll.1846.issue-30/crll.1846.30.51/crll.1846.30.51.xml", + doi = "doi:10.1515/crll.1846.30.51", + pages = "51--94", + year = "1846", +} + +@Article{sleijpen96, + author = "G. G. 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Sorensen", + title = "Implicit Application of Polynomial Filters in a k-Step + Arnoldi Method", + journal = "SIAM Journal on Matrix Analysis and Applications", + volume = "13", + number = "1", + pages = "357--385", + year = "1992", + doi = "10.1137/0613025", + URL = "http://epubs.siam.org/doi/abs/10.1137/0613025", + eprint = "http://epubs.siam.org/doi/pdf/10.1137/0613025", +} + +@Article{paige95, + author = "Chris C. Paige and Beresford N. 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Yang and K. + Maschhoff", + journal = "Rice University", + year = "2001", +} + +@Article{luo08, + title = "Quantum-size-induced electronic transitions in quantum + dots: Indirect band-gap GaAs", + author = "Jun-Wei Luo and Alberto Franceschetti and Alex + Zunger", + journal = "Phys. Rev. B", + volume = "78", + issue = "3", + pages = "035306", + numpages = "8", + year = "2008", + month = jul, + doi = "10.1103/PhysRevB.78.035306", + URL = "http://link.aps.org/doi/10.1103/PhysRevB.78.035306", + publisher = "American Physical Society", +} + +@Misc{openmp08, + author = "{OpenMP Architecture Review Board}", + title = "{OpenMP} Application Program Interface Version 3.0", + month = may, + year = "2008", + URL = "\url{http://www.openmp.org/mp-documents/spec30.pdf}", +} + +@Book{anderson99, + author = "E. Anderson and Z. Bai and C. Bischof and L. S. + Blackford and J. Demmel and J. Dongarra and J. Du Croz + and A. Greenbaum and S. Hammarling and A. McKenney and + D. 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