Regensburg 2022 – wissenschaftliches Programm

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KFM: Fachverband Kristalline Festkörper und deren Mikrostruktur

KFM 25: Poster

KFM 25.9: Poster

Donnerstag, 8. September 2022, 15:00–18:00, P2

The Relation between Electrocaloric Effect and Non-Collinear Electric Fields: A Coarse-Grained Case Study of BaTiO3 — •Lan-Tien Hsu1,2, Frank Wendler1, and Anna Grünebohm21Institute of Materials Simulation (WW8), Friedrich-Alexander University of Erlangen-Nürnberg, Dr.-Mack-Str. 77, 90762 Fürth, Germany — 2Interdisciplinary Centre for Advanced Materials Simulation (ICAMS) and Center for Interface-Dominated High Performance Materials (ZGH), Ruhr-University Bochum, Universitätsstr 150, 44801 Bochum, Germany

Ferroelectric perovskites are promising candidates for future electrocaloric cooling devices due to their adiabatic temperature changes in varying external electric fields.[1,2] Recently, the origin of the inverse electrocaloric effect (ECE) has been discussed.[2,3,4] In this work, we do coarse-grained molecular dynamic simulation using feram[5] to explore the phase stability and caloric responses of BaTiO3 over a wide temperature range including fields in low-symmetry directions. We observe large inverse ECEs close to high-symmetry directions where the applied fields stabilize phases outside the zero-field coexistence temperature range. We believe this finding can provide general insights into the anisotropic nature of the ECE of ferroelectric perovskites.

[1] A. Torelló and E. Defay, Adv. Electron. Mater. (2022)

[2] A. Grünebohm, et al., Energy Technol. 6 (2018)

[3] H. H. Wu and R. E. Cohen., J. Phys.: Condens. Matter 29 (2017)

[4] M. Marathe, et al., Phys. Rev. B 96 (2017)

[5] T. Nishimatsu, et al., Phys. Rev. B 78 (2008)

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