3. Electronic Properties of Interfaces and Defects from Many-Body Perturbation Theory: Recent Developments and Applications

  1. Dr. Audrius Alkauskas7,8,9,
  2. Prof. Dr. Peter Deák10,
  3. Prof. Dr. Jörg Neugebauer11,
  4. Prof. Dr. Alfredo Pasquarello8,9,12 and
  5. Prof. Dr. Chris G. Van de Walle13
  1. Matteo Giantomassi1,2,
  2. Martin Stankovski1,2,
  3. Riad Shaltaf1,3,
  4. Myrta Grüning1,4,
  5. Fabien Bruneval1,5,
  6. Patrick Rinke1,6 and
  7. Gian-marco Rignanese1,2

Published Online: 18 JUN 2011

DOI: 10.1002/9783527638529.ch3

Advanced Calculations for Defects in Materials: Electronic Structure Methods

Advanced Calculations for Defects in Materials: Electronic Structure Methods

How to Cite

Giantomassi, M., Stankovski, M., Shaltaf, R., Grüning, M., Bruneval, F., Rinke, P. and Rignanese, G.-m. (2011) Electronic Properties of Interfaces and Defects from Many-Body Perturbation Theory: Recent Developments and Applications, 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.ch3

Editor Information

  1. 7

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

  2. 8

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

  3. 9

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

  4. 10

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

  5. 11

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

  6. 12

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

  7. 13

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

Author Information

  1. 1

    European Theoretical Spectroscopy Facility (ETSF), USA

  2. 2

    Université catholique de Louvain, Institute of Condensed Matter and Nanosciences, 1 Place Croix du Sud, 1 bte 3, 1348 Louvain-la-Neuve, Belgium

  3. 3

    University of Jordan, Department of Physics, Amman 11942, Jordan

  4. 4

    University of Coimbra, Centre for Computational Physics and Physics Department, Rua Larga, 3004-516 Coimbra, Portugal

  5. 5

    CEA, DEN, Service de Recherches de Métallurgie Physique, 91191 Gif-sur-Yvette, France

  6. 6

    University of California, Department of Materials, 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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Keywords:

  • defect levels;
  • electronic structure calculations;
  • interfaces

Summary

This chapter contains sections titled:

  • Introduction

  • Many-Body Perturbation Theory

  • Practical Implementation of GW and Recent Developments Beyond

  • QP Corrections to the BOs at Interfaces

  • QP Corrections for Defects

  • Conclusions and Prospects

  • References