Relation between image charge and potential alignment corrections for charged defects in periodic boundary conditions-Reference-Cited by-同舟云学术

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Relation between image charge and potential alignment corrections for charged defects in periodic boundary conditions

Published:2018-07-14 Issue:2 Volume:149 Page:024103
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Durrant T. R.¹^ORCID,Murphy S. T.¹²,Watkins M. B.¹³^ORCID,Shluger A. L.¹^ORCID

Affiliation:

1. Department of Physics and Astronomy and London Centre for Nanotechnology, University College London, Gower Street, London WC1E 6BT, United Kingdom

2. Engineering Department, Lancaster University, Lancaster LA1 4YW, United Kingdom

3. School of Mathematics and Physics, University of Lincoln, Lincoln LN6 7TS, United Kingdom

Funder

Engineering and Physical Sciences Research Council

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5029818

Reference49 articles.

1. First-principles calculations for point defects in solids

2. The energy and elastic dipole tensor of defects in ionic crystals calculated by the supercell method

3. Periodic boundary conditions inab initiocalculations

4. Native defects and self-compensation in ZnSe

5. Perspective on density functional theory

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