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KFM: Fachverband Kristalline Festkörper und deren Mikrostruktur
KFM 33: Focus Session: (Multi-)Ferroic States V
KFM 33.6: Talk
Friday, March 22, 2024, 11:25–11:45, EMH 225
Towards precise domain-wall engineering in BaTiO3-based materials — •Sheng-Han Teng1, Aris Dimou1, Chinwendu Nancy Anabaraonye2,3, and Anna Grünebohm1 — 1Interdisciplinary Centre for Advanced Materials Simulation (ICAMS) and Center for Interface-Dominated High Performance Materials (ZGH), Ruhr-University Bochum, Germany — 2Institute for Physical Chemistry, University of Münster, Corrensstraße 28/30, 48149 Münster, Germany — 3International Graduate School for Battery Chemistry, Characterization, Analysis, Recycling and Application (BACCARA), University of Münster, Corrensstraße 40, 48149 Münster, Germany
Domain walls in ferroelectric oxides are promising for new nanoelectronic device concepts [1]. However, precise control of domain walls and their dynamics remains a challenge [2]. In the present work, we use ab initio based effective Hamiltonian [3] to explore how local point defects and nanoscale inclusions can affect phase and domain structure as well as wall pinning, bowing, and roughness in BaTiO3-based materials.
[1] D. Meier, S. M. Selbach, Nat. Rev. Mater. 7(3), pp. 157–173 (2022)
[2] A. Grünebohm, M. Marathe, R. Khachaturyan, R. Schiedung, D. C. Lupascu, V. V. Shvartsman, J. Phys.: Condens. Matter. 34(7), p. 073002 (2021)
[3] W. Zhong, D. Vanderbilt, K. M. Rabe, Phys. Rev. B 52(9), pp. 6301–6312 (1995)
Keywords: ferroelectric oxides; domain walls; defects; nanoscale inclusions; barium titanate