Self-trapped holes in BaTiO3

Traiwattanapong, W; Janotti, A; Umezawa, N; Limpijumnong, S; T-Thienprasert, J; Reunchan, P

Reunchan, P (reprint author), Kasetsart Univ, Fac Sci, Dept Phys, Bangkok 10900, Thailand.; Reunchan, P (reprint author), Commiss Higher Educ, Thailand Ctr Excellence Phys ThEP Ctr, Bangkok 10400, Thailand.

JOURNAL OF APPLIED PHYSICS, 2018; 124 (8):

Abstract

The behavior of holes in the valence band of BaTiO3 is investigated using hybrid density functional calculations, We find that holes tend to self-trap......

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