19. Which Electronic Structure Method for The Study of Defects: A Commentary

  1. Dr. Audrius Alkauskas2,3,4,
  2. Prof. Dr. Peter Deák5,
  3. Prof. Dr. Jörg Neugebauer6,
  4. Prof. Dr. Alfredo Pasquarello3,4,7 and
  5. Prof. Dr. Chris G. Van de Walle8
  1. Walter R. L. Lambrecht

Published Online: 18 JUN 2011

DOI: 10.1002/9783527638529.ch19

Advanced Calculations for Defects in Materials: Electronic Structure Methods

Advanced Calculations for Defects in Materials: Electronic Structure Methods

How to Cite

Lambrecht, W. R. L. (2011) Which Electronic Structure Method for The Study of Defects: A Commentary, in Advanced Calculations for Defects in Materials: Electronic Structure Methods (eds A. Alkauskas, P. Deák, J. Neugebauer, A. Pasquarello and C. G. Van de Walle), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany. doi: 10.1002/9783527638529.ch19

Editor Information

  1. 2

    EPFL 58, IPMC LSME, MX 136, Batiment MXC 12, 1015 Lausanne, Schweiz

  2. 3

    Ecole Polytechnique Fédérale de Lausanne (EPFL), Institute of Theoretical Physics, 1015 Lausanne, Switzerland

  3. 4

    Institut Romand de Recherche Numérique en Physique des Matériaux (IRRMA), 1015 Lausanne, Switzerland

  4. 5

    Universität Bremen, Bremen Center for Computational Materials Science, Am Fallturm 1, Otto-Hahn-Allee 1, 28359 Bremen, Germany

  5. 6

    Fritz-Haber-Institut, Max-Planck-Institut für Eisenforschung GmbH, Max-Planck-Str. 1, 40237 Düsseldorf, Germany

  6. 7

    EPFL-SB-ITP-CSEA, Station 3/ PH H2 467, 1015 Lausanne, Schweiz

  7. 8

    Materials Department, University of California, Santa Barbara, CA 93106-5050, USA

Author Information

  1. Case Western Reserve University, Department of Physics, 10900 Euclid Avenue, Cleveland, OH 444106-7079, USA

Publication History

  1. Published Online: 18 JUN 2011
  2. Published Print: 20 APR 2011

ISBN Information

Print ISBN: 9783527410248

Online ISBN: 9783527638529

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Keywords:

  • defects;
  • density functional theory;
  • GW approximation;
  • hybrid functionals;
  • semiconductors

Summary

This chapter contains sections titled:

  • Introduction: A Historic Perspective

  • Themes of the Workshop

  • Conclusions

  • References