18. Time-Dependent Density Functional Study on the Excitation Spectrum of Point Defects in Semiconductors

  1. Dr. Audrius Alkauskas3,4,5,
  2. Prof. Dr. Peter Deák6,
  3. Prof. Dr. Jörg Neugebauer7,
  4. Prof. Dr. Alfredo Pasquarello4,5,8 and
  5. Prof. Dr. Chris G. Van de Walle9
  1. Adam Gali1,2

Published Online: 18 JUN 2011

DOI: 10.1002/9783527638529.ch18

Advanced Calculations for Defects in Materials: Electronic Structure Methods

Advanced Calculations for Defects in Materials: Electronic Structure Methods

How to Cite

Gali, A. (2011) Time-Dependent Density Functional Study on the Excitation Spectrum of Point Defects in Semiconductors, 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.ch18

Editor Information

  1. 3

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

  2. 4

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

  3. 5

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

  4. 6

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

  5. 7

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

  6. 8

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

  7. 9

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

Author Information

  1. 1

    Hungarian Academy of Sciences, Research Institute for Solid State, Physics and Optics, POB 49, 1525 Budapest, Hungary

  2. 2

    Budapest University of Technology and Economics, Department of Atomic Physics, Budafoki út 8, 1111 Budapest, Hungary

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;
  • diamond;
  • hybrid functionals;
  • silicon carbide;
  • vacancies

Summary

This chapter contains sections titled:

  • Introduction

  • Method

  • Results and Discussion

  • Summary

  • References