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",
@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",
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",
+}