Berlin 2018 – scientific programme

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KFM: Fachverband Kristalline Festkörper und deren Mikrostruktur

KFM 6: Ferroelectric Domain Walls II (joint session KFM/TT)

KFM 6.3: Talk

Monday, March 12, 2018, 15:45–16:00, EMH 225

The impact of domains on phase transitions and the electrocaloric effect - an ab initio based study of BaTiO₃. — •Anna Grünebohm¹, Madhura Marathe², and Claude Ederer³ — ¹Faculty of Physics and CENIDE, University of Duisburg-Essen, Germany — ²Institut de Ciència de Materials de Barcelona, Spain — ³Materials Theory, ETH Zürich, Switzerland

The electrocaloric effect (ECE) is the adiabatic temperature change induced by a varying external electrical field [1]. Although large temperature changes arise at field-induced first order phase transitions, this response may be irreversible due to thermal hysteresis [1-3]. We present an ab initio based study of the impact the domain structure makes on such transitions, their thermal hysteresis, and the (reversible) caloric response. As example, we focus on the tetragonal and orthorhombic phases of BaTiO₃ [4].

[1] X. Moya, et al., Nature Mater. 13, 439 (2014).

[2] M. Marathe, et al., Phys. Rev. B 96, 014102 (2017).

[3] M. Marathe, et al., PSS (b), 1521, 1700308 (2017).

[4] A. Grünebohm et al. Euro. Phys. Lett. 115, 47002 (2016).