9. LDA + U and Hybrid Functional Calculations for Defects in ZnO, SnO2, and TiO2

  1. Dr. Audrius Alkauskas1,2,3,
  2. Prof. Dr. Peter Deák4,
  3. Prof. Dr. Jörg Neugebauer5,
  4. Prof. Dr. Alfredo Pasquarello2,3,6 and
  5. Prof. Dr. Chris G. Van de Walle7
  1. Anderson Janotti and
  2. Chris G. Van de Walle

Published Online: 18 JUN 2011

DOI: 10.1002/9783527638529.ch9

Advanced Calculations for Defects in Materials: Electronic Structure Methods

Advanced Calculations for Defects in Materials: Electronic Structure Methods

How to Cite

Janotti, A. and Van de Walle, C. G. (2011) LDA + U and Hybrid Functional Calculations for Defects in ZnO, SnO2, and TiO2, 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.ch9

Editor Information

  1. 1

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

  2. 2

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

  3. 3

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

  4. 4

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

  5. 5

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

  6. 6

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

  7. 7

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

Author Information

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