Berlin 2018 – wissenschaftliches Programm
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KFM: Fachverband Kristalline Festkörper und deren Mikrostruktur
KFM 6: Ferroelectric Domain Walls II (joint session KFM/TT)
KFM 6.3: Vortrag
Montag, 12. März 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).