Regensburg 2022 – wissenschaftliches Programm

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DS: Fachverband Dünne Schichten

DS 11: Focus Session: Quantum Properties at Functional Oxide Interfaces 1 (joint session HL/DS)

DS 11.6: Vortrag

Dienstag, 6. September 2022, 11:45–12:00, H34

Optical signatures of polarons trapped at ferroelectric domain walls in bismuth ferrite — •Sabine Körbel — Institute of Physics of the Czech Academy of Sciences, Prague, Czech Republic — Friedrich Schiller University Jena, Germany

Ferroelectric domain walls are atomically narrow planes that can behave very differently from the surrounding bulk ferroelectric material. For example, the domain walls in many ferroelectrics can collect and conduct charge carriers despite the insulating nature of the host material. Domain walls can be created, moved, and removed again in a controlled way, thus they can be used to alter the electronic properties of the ferroelectric as desired. Charge carriers that accumulate at domain walls may induce metallic or semiconducting behavior depending on whether they are delocalized or form self-trapped small polarons. The latter may be detected, for example, as deep levels within the band gap in absorption or photoluminescence spectra. Here we predict optical signatures of charge carriers trapped as small polarons at ferroelectric domain walls in BiFeO₃, using first principles calculations.