Doping of BiFeO3: A comprehensive study on substitutional doping

Gebhardt, J; Rappe, AM

Gebhardt, J (reprint author), Univ Penn, Dept Chem, Philadelphia, PA 19104 USA.

PHYSICAL REVIEW B, 2018; 98 (12):

Abstract

We investigate the effects of metal dopants on BiFeO3 (BFO) by first-principles calculations. Substitutional doping in oxide materials is often compli......

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