ICAMS / Interdisciplinary Centre for Advanced Materials Simulation

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The relation between electrocaloric effect and non-collinear electric fields: a coarse-grained case study of BaTiO3

Date: 08.09.2022
Place: DPG Meeting, Regensburg, Germany

Lan-Tien Hsu
Frank Wendler, Friedrich-Alexander-Universität, Erlangen, Germany
Anna Grünebohm

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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