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Anti‐ferrodistortive‐Like Oxygen‐Octahedron Rotation Induced by the Oxygen Vacancy in Cubic SrTiO3
Authors:Minseok Choi  Fumiyasu Oba  Yu Kumagai  Isao Tanaka
Affiliation:1. Department of Materials Science and Engineering, Kyoto University, Sakyo, Kyoto 606‐8501, Japan;2. Nanostructures Research Laboratory, Japan Fine Ceramics Center, Atsuta, Nagoya 456‐8587, Japan
Abstract:
Keywords:SrTiO3  oxygen vacancies  oxygen‐octahedron rotation  first‐principles calculations  hybrid functionals
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