SKM 2021 – scientific programme

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KFM: Fachverband Kristalline Festkörper und deren Mikrostruktur

KFM 5: Poster Session KFM

KFM 5.18: Poster

Tuesday, September 28, 2021, 16:00–17:00, P

Impact of domain walls on ferroelectric switching: an ab initio based MD study on orthorhombic BaTiO₃ — •Yijing Yang, Ruben Khachaturyan, and Anna Grünebohm — ICAMS, RUB, Bochum, Germany

Ferroelectric switching by domain walls motion is very important for many applications. In this work, we explore the coupling between the external electric field and domain walls in the so far rarely explored orthorhombic phase of BaTiO₃. Therefore, we employ molecular dynamics simulations using the effective Hamiltonian approach [1, 2] to study the electric field induced domain wall motion and the local polarization on the walls. In particular, we find polarization vortices on 180^∘ nonelastic domain wall which can minimize the charge density.

[1] A. Grünebohm and M. Madhura, Phys. Rev. Mater. 4, 114417 (2020)

[2] T. Nishimatsu et al. Phys. Rev. B 82.13, 134106 (2010)