Finite-size correction for slab supercell calculations of materials with spontaneous polarization

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Authors: Su-Hyun Yoo, Mira Todorova, Darshana Wickramaratne, Leigh Weston, Chris G. Van de Walle, Jörg Neugebauer

Journal title: npj Computational Materials

Journal number: 7/1

Journal publisher: Springer Nature

Published year: 2021

DOI identifier: 10.1038/s41524-021-00529-1

ISSN: 2057-3960