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One-dimensionally extended oxygen vacancy states in perovskite oxides

Tsunoda, N; Kumagai, Y; Araki, M; Oba, F

Kumagai, Y (reprint author), Tokyo Inst Technol, Mat Res Ctr Element Strategy, Yokohama, Kanagawa 2268503, Japan.; Kumagai, Y (reprint author), Japan Sci & Technol Agcy, PRESTO, Tokyo 1138656, Japan.

PHYSICAL REVIEW B, 2019; 99 (6):

Abstract

We elucidate as-yet-unidentified spatially extended oxygen vacancy states in ABO(3) perovskite oxides using first-principles calculations. When B site......

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