X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=blobdiff_plain;f=bibdb%2Fbibdb.bib;h=a9c22cf18d6f4db8c6102133c1ef21dcf66fdafa;hp=6ce19ef14b2b2d8f3d74de4aef3276183d8524b3;hb=c38f4104c68570008e0514ae0930abf10f8956f5;hpb=5d82b4e30a8ba13492dd0c38f544520952d53eaf diff --git a/bibdb/bibdb.bib b/bibdb/bibdb.bib index 6ce19ef..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", @@ -4054,6 +4180,41 @@ author = "Marvin L. Cohen and Volker Heine", } +@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", @@ -4069,6 +4230,20 @@ notes = "norm-conserving pseudopotentials", } +@Article{kleinman82, + journal = "Phys. Rev. Lett.", + month = may, + doi = "10.1103/PhysRevLett.48.1425", + issue = "20", + author = "Leonard Kleinman and D. M. Bylander", + title = "Efficacious Form for Model Pseudopotentials", + year = "1982", + URL = "http://link.aps.org/doi/10.1103/PhysRevLett.48.1425", + publisher = "American Physical Society", + pages = "1425--1428", + volume = "48", +} + @Article{troullier91, title = "Efficient pseudopotentials for plane-wave calculations", @@ -4303,6 +4478,22 @@ si", } +@Article{jones89, + doi = "10.1103/RevModPhys.61.689", + month = jul, + issue = "3", + author = "R. O. Jones and O. Gunnarsson", + year = "1989", + URL = "http://link.aps.org/doi/10.1103/RevModPhys.61.689", + publisher = "American Physical Society", + title = "The density functional formalism, its applications and + prospects", + pages = "689--746", + journal = "Rev. Mod. Phys.", + volume = "61", + notes = "dft intro", +} + @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 @@ -4959,6 +5150,56 @@ notes = "micropipe free 6h-sic pvt growth", } +@Article{frank51, + author = "F. C. Frank", + title = "Capillary equilibria of dislocated crystals", + journal = "Acta Crystallogr.", + year = "1951", + volume = "4", + number = "6", + pages = "497--501", + month = nov, + doi = "10.1107/S0365110X51001690", + URL = "http://dx.doi.org/10.1107/S0365110X51001690", + notes = "micropipe", +} + +@Article{heindl97, + author = "J. Heindl and H. P. Strunk and V. D. Heydemann and G. + Pensl", + title = "Micropipes: Hollow Tubes in Silicon Carbide", + journal = "phys. status solidi (a)", + volume = "162", + number = "1", + publisher = "WILEY-VCH Verlag", + ISSN = "1521-396X", + URL = "http://dx.doi.org/10.1002/1521-396X(199707)162:1<251::AID-PSSA251>3.0.CO;2-7", + doi = "10.1002/1521-396X(199707)162:1<251::AID-PSSA251>3.0.CO;2-7", + pages = "251--262", + year = "1997", + notes = "micropipe", +} + +@Article{neudeck94_2, + author = "P. G. Neudeck and J. A. Powell", + journal = "IEEE Electron Device Lett.", + title = "Performance limiting micropipe defects in silicon + carbide wafers", + year = "1994", + month = feb, + volume = "15", + number = "2", + pages = "63--65", + keywords = "SiC;defect density;device ratings;epitaxially-grown pn + junction devices;micropipe defects;power devices;power + semiconductors;pre-avalanche reverse-bias point + failures;p-n homojunctions;power + electronics;semiconductor materials;silicon + compounds;", + doi = "10.1109/55.285372", + ISSN = "0741-3106", +} + @Article{pirouz87, author = "P. Pirouz and C. M. Chorey and J. A. Powell", collaboration = "", @@ -5434,3 +5675,1499 @@ provides a corresponding layered semiconductor structure.", } + +@Article{zunger01, + author = "Alex Zunger", + title = "Pseudopotential Theory of Semiconductor Quantum Dots", + journal = "phys. status solidi (b)", + volume = "224", + number = "3", + publisher = "WILEY-VCH Verlag Berlin GmbH", + ISSN = "1521-3951", + URL = "http://dx.doi.org/10.1002/(SICI)1521-3951(200104)224:3<727::AID-PSSB727>3.0.CO;2-9", + doi = "10.1002/(SICI)1521-3951(200104)224:3<727::AID-PSSB727>3.0.CO;2-9", + pages = "727--734", + keywords = "71.15.Dx, 73.21.La, S5.11, S5.12, S7.11, S7.12, S8.11, + S8.12", + year = "2001", + 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 + total energy calculations", + journal = "Journal of Physics: Condensed Matter", + volume = "2", + number = "49", + pages = "9837", + URL = "http://stacks.iop.org/0953-8984/2/i=49/a=010", + year = "1990", + notes = "kp method", +} + +@Article{lange11, + volume = "84", + journal = "Phys. Rev. B", + author = "Bj{\"o}rn Lange and Christoph Freysoldt and J{\"o}rg + Neugebauer", + month = aug, + URL = "http://link.aps.org/doi/10.1103/PhysRevB.84.085101", + doi = "10.1103/PhysRevB.84.085101", + year = "2011", + title = "Construction and performance of fully numerical + optimum atomic basis sets", + issue = "8", + publisher = "American Physical Society", + numpages = "11", + pages = "085101", + notes = "quamol, basis set, for planc", +} + +@Article{artacho91, + volume = "43", + journal = "Phys. Rev. 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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 = "", + title = "On the Non-Orthogonality Problem Connected with the + Use of Atomic Wave Functions in the Theory of Molecules + and Crystals", + publisher = "AIP", + year = "1950", + journal = "The Journal of Chemical Physics", + volume = "18", + number = "3", + pages = "365--375", + URL = "http://link.aip.org/link/?JCP/18/365/1", + doi = "10.1063/1.1747632", + notes = "non orthogonal basis set", +} + +@Article{loewdin68, + author = "Per-Olov Löwdin", + title = "Studies in perturbation theory {XIII}. Treatment of + constants of motion in resolvent method, partitioning + technique, and perturbation theory", + journal = "International Journal of Quantum Chemistry", + volume = "2", + number = "6", + publisher = "John Wiley & Sons, Inc.", + ISSN = "1097-461X", + URL = "http://dx.doi.org/10.1002/qua.560020612", + doi = "10.1002/qua.560020612", + pages = "867--931", + year = "1968", +} + +@Article{chadi77, + volume = "16", + journal = "Phys. Rev. B", + author = "D. J. Chadi", + month = oct, + URL = "http://link.aps.org/doi/10.1103/PhysRevB.16.3572", + doi = "10.1103/PhysRevB.16.3572", + year = "1977", + title = "Localized-orbital description of wave functions and + energy bands in semiconductors", + issue = "8", + publisher = "American Physical Society", + pages = "3572--3578", + notes = "localized orbitals", +} + +@Article{wigner33, + volume = "43", + journal = "Phys. Rev.", + author = "E. Wigner and F. 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Sham", + month = jul, + URL = "http://link.aps.org/doi/10.1103/PhysRev.127.276", + doi = "10.1103/PhysRev.127.276", + year = "1962", + title = "General Theory of Pseudopotentials", + issue = "1", + publisher = "American Physical Society", + pages = "276--282", + notes = "most general form of pseudo potential", +} + +@Article{gonze91, + volume = "44", + journal = "Phys. Rev. B", + author = "Xavier Gonze and Roland Stumpf and Matthias + Scheffler", + month = oct, + URL = "http://link.aps.org/doi/10.1103/PhysRevB.44.8503", + doi = "10.1103/PhysRevB.44.8503", + year = "1991", + title = "Analysis of separable potentials", + issue = "16", + publisher = "American Physical Society", + 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. 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B", + author = "Nicola Marzari and David Vanderbilt", + month = nov, + URL = "http://link.aps.org/doi/10.1103/PhysRevB.56.12847", + doi = "10.1103/PhysRevB.56.12847", + year = "1997", + title = "Maximally localized generalized Wannier functions for + composite energy bands", + issue = "20", + publisher = "American Physical Society", + pages = "12847--12865", + notes = "maximal general localized wannier orbitals", +} + +@Article{dirac28, + author = "P. A. M. Dirac", + title = "The Quantum Theory of the Electron", + volume = "117", + number = "778", + pages = "610--624", + year = "1928", + doi = "10.1098/rspa.1928.0023", + URL = "http://rspa.royalsocietypublishing.org/content/117/778/610.short", + eprint = "http://rspa.royalsocietypublishing.org/content/117/778/610.full.pdf+html", + journal = "Proceedings of the Royal Society of London. Series A", + notes = "spin orbit origin, relativistic quantum theory", +} + +@Article{kleinman80, + title = "Relativistic norm-conserving pseudopotential", + author = "Leonard Kleinman", + journal = "Phys. Rev. B", + volume = "21", + issue = "6", + pages = "2630--2631", + year = "1980", + month = mar, + doi = "10.1103/PhysRevB.21.2630", + URL = "http://link.aps.org/doi/10.1103/PhysRevB.21.2630", + publisher = "American Physical Society", + notes = "first relativistic pseudopotential", +} + +@Article{bachelet82, + title = "Relativistic norm-conserving pseudopotentials", + author = "Giovanni B. Bachelet and M. Schl{\"u}ter", + journal = "Phys. Rev. B", + volume = "25", + issue = "4", + pages = "2103--2108", + year = "1982", + month = feb, + doi = "10.1103/PhysRevB.25.2103", + URL = "http://link.aps.org/doi/10.1103/PhysRevB.25.2103", + publisher = "American Physical Society", +} + +@Article{hybertsen86, + title = "Spin-orbit splitting in semiconductors and insulators + from the \textit{ab initio} pseudopotential", + author = "Mark S. Hybertsen and Steven G. Louie", + journal = "Phys. Rev. B", + volume = "34", + issue = "4", + pages = "2920--2922", + year = "1986", + month = aug, + doi = "10.1103/PhysRevB.34.2920", + URL = "http://link.aps.org/doi/10.1103/PhysRevB.34.2920", + publisher = "American Physical Society", + 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", + author = "Doron Naveh and Leeor Kronik and Murilo L. Tiago and + James R. Chelikowsky", + journal = "Phys. Rev. B", + volume = "76", + issue = "15", + pages = "153407", + numpages = "4", + year = "2007", + month = oct, + doi = "10.1103/PhysRevB.76.153407", + URL = "http://link.aps.org/doi/10.1103/PhysRevB.76.153407", + publisher = "American Physical Society", + 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. 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