Domain walls in a perovskite oxide with two primary structural order parameters: first-principles study of BiFeO${}_3$

Oswaldo Diéguez, Pablo Aguado-Puente, Javier Junquera +1

We present a first-principles study of ferroelectric domain walls (FE-DWs) in multiferroic BiFeO${}_3$ (BFO), a material in which the FE order parameter coexists with anti-ferrodisto…