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First-principles investigation of metal-doped cubic BaTiO3

TitleFirst-principles investigation of metal-doped cubic BaTiO3
Publication TypeJournal Article
Year of Publication2017
AuthorsYang, F, Lin, SW, Yang, L, Liao, JJ, Chen, YJ, Wang, CZ
JournalMaterials Research Bulletin
Issue245421
Pagination372-378
Date Published12
Type of ArticleArticle
ISBN Number0025-5408
Accession NumberWOS:000413797100015
Keywords1st, augmented-wave method, basis-set, Effective mass, electrical-properties, Electronic properties, First-principles calculation, formation energy, generalized gradient approximation, Materials Science, Metal-doped BaTiO3, optical-properties, perovskites, photocatalysts, principles, srtio3, total-energy calculations
Abstract

dance into experimental study of BaTiO3 in the photoelectric applications. (C) 2017 Elsevier Ltd. All rights reserved.

DOI10.1016/j.materresbull.2017.03.023
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