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{lindner95,
author = "J. K. N. Lindner and A. Frohnwieser and B.
Rauschenbach and B. Stritzker",
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.",
@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",
author = "Alex Zunger",
title = "On the Farsightedness (hyperopia) of the Standard k ·
p Model",
- journal = "physica status solidi (a)",
+ journal = "phys. status solidi (a)",
volume = "190",
number = "2",
publisher = "WILEY-VCH Verlag Berlin GmbH",
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",
publisher = "American Physical Society",
notes = "topological insulator without spin-orbit coupling",
}
+
+@Article{luo10,
+ title = "Design Principles and Coupling Mechanisms in the 2{D}
+ Quantum Well Topological Insulator
+ $\mathrm{HgTe}/\mathrm{CdTe}$",
+ author = "Jun-Wei Luo and Alex Zunger",
+ journal = "Phys. Rev. Lett.",
+ volume = "105",
+ issue = "17",
+ pages = "176805",
+ numpages = "4",
+ year = "2010",
+ month = oct,
+ doi = "10.1103/PhysRevLett.105.176805",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevLett.105.176805",
+ publisher = "American Physical Society",
+ notes = "zunger topological insulator",
+}
+
+@Article{bryant03,
+ title = "Tight-binding theory of quantum-dot quantum
+ wells:\quad{}Single-particle effects and near-band-edge
+ structure",
+ author = "Garnett W. Bryant and W. Jask\'olski",
+ journal = "Phys. Rev. B",
+ volume = "67",
+ issue = "20",
+ pages = "205320",
+ numpages = "17",
+ year = "2003",
+ month = may,
+ doi = "10.1103/PhysRevB.67.205320",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.67.205320",
+ publisher = "American Physical Society",
+}
+
+@Article{saad10,
+ author = "Y. Saad and J. Chelikowsky and S. Shontz",
+ title = "Numerical Methods for Electronic Structure
+ Calculations of Materials",
+ journal = "SIAM Review",
+ volume = "52",
+ number = "1",
+ pages = "3--54",
+ year = "2010",
+ doi = "10.1137/060651653",
+ URL = "http://epubs.siam.org/doi/abs/10.1137/060651653",
+ eprint = "http://epubs.siam.org/doi/pdf/10.1137/060651653",
+}
+
+@Article{kronik06,
+ author = "Leeor Kronik and Adi Makmal and Murilo L. Tiago and M.
+ M. G. Alemany and Manish Jain and Xiangyang Huang and
+ Yousef Saad and James R. Chelikowsky",
+ title = "{PARSEC} - the pseudopotential algorithm for
+ real-space electronic structure calculations: recent
+ advances and novel applications to nano-structures",
+ journal = "physica status solidi (b)",
+ volume = "243",
+ number = "5",
+ publisher = "WILEY-VCH Verlag",
+ ISSN = "1521-3951",
+ URL = "http://dx.doi.org/10.1002/pssb.200541463",
+ doi = "10.1002/pssb.200541463",
+ pages = "1063--1079",
+ keywords = "61.46.+w, 71.15.Mb, 73.22.-f",
+ year = "2006",
+}
+
+@Article{alemany04,
+ title = "Real-space pseudopotential method for computing the
+ electronic properties of periodic systems",
+ author = "M. M. G. Alemany and Manish Jain and Leeor Kronik and
+ James R. Chelikowsky",
+ journal = "Phys. Rev. B",
+ volume = "69",
+ issue = "7",
+ pages = "075101",
+ numpages = "6",
+ year = "2004",
+ month = feb,
+ doi = "10.1103/PhysRevB.69.075101",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.69.075101",
+ publisher = "American Physical Society",
+}
projects / lectures / latex.git / blobdiff