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KFM: Fachverband Kristalline Festkörper und deren Mikrostruktur
KFM 11: Focus Session: (Multi-)Ferroic States II
KFM 11.3: Talk
Tuesday, March 19, 2024, 10:20–10:40, EMH 225
Epitaxial Strain in Arbitrary Orientation in BaTiO3 films and BaTiO3/SrTiO3 superlattices — •Lan-Tien Hsu1, Anna Grünebohm1, and Frank Wendler2 — 1Interdisciplinary Centre for Advanced Materials Simulation (ICAMS) and Center for Interface-Dominated High Performance Materials (ZGH), Ruhr-University Bochum, Universitätsstr. 150, 44801 Bochum, Germany — 2Institute of Materials Simulation, Department of Materials Science, Friedrich-Alexander University of Erlangen-Nürnberg, Dr.-Mack-Strasse 77, 90762 Fürth, Germany
Interface strain plays a crucial role in ferroelectric thin films and multilayer systems, which have potential in e.g. high-frequency capacitors and random-access memories[1]. Epitaxial (001), (110), and (111) strains can alter phase stability and enhance ferroelectric properties in BaTiO3 films[2]. However, it is still unclear how the epitaxial strain in low symmetric orientation influences films and multilayer systems.
In this work, we study the epitaxial strain in low symmetric orientations in bulk-like BaTiO3 (without a depolarization field) and in BaTiO3/SrTiO3 superlattices, using ab initio based coarse-grained molecular dynamics[3]. Complex multidomain structures appear, particularly in superlattices due to the presence of depolarization fields. Furthermore, we compare these strain-induced phases with those induced by electric fields along arbitrary directions.
[1] A. Grünebohm et al., J. Phys. 34, 2021
[2] H. Wu et al., AIP Advances 6, 2016
[3] T. Nishimatsu et al., Phys. Rev. B 78, 2008
Keywords: ferroelectrics; epitaxial strain; superlattice; symmetry; domain structure