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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
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

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

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