Berlin 2018 – scientific programme

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KFM: Fachverband Kristalline Festkörper und deren Mikrostruktur

KFM 6: Ferroelectric Domain Walls II (joint session KFM/TT)

KFM 6.4: Talk

Monday, March 12, 2018, 16:15–16:30, EMH 225

Electronic structure and optical absorption at ferroelectric domain walls in BiFeO₃ from first principles — •Sabine Körbel^1,2, Stefano Sanvito¹, and Jirka Hlinka² — ¹School of Physics & CRANN, Trinity College, Dublin, Ireland — ²Institute of Physics, Academy of Sciences of the Czech Republic, Prague, Czech Republic

Recent publications on first principles electronic structure of ferroelectric domain walls (FE DW) in BiFeO₃ show some variations concerning existence and magnitude of potential steps and band bending at pristine FE DW. We investigated these properties once more, trying to improve understanding by building on previous works in a systematic way. We also tested the hypothesis that FE DW modify the light absorption properties of BiFeO₃.