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MM: Fachverband Metall- und Materialphysik

MM 23: Computational Materials Modelling: Magnetic & Electrical Properties

MM 23.2: Talk

Wednesday, September 7, 2022, 16:00–16:15, H44

Atomistic simulations of electrocaloric effects in ferroelectric-paraelectric superlattices — •Diana Elisa Murillo Navarro1,2, Hugo Imanol Aramberri Del Vigo1, and Jorge Íñiguez1,21Materials Research and Technology Department, Luxembourg Institute of Science and Technology, Luxembourg — 2Department of Physics and Materials Science, University of Luxembourg

Electrocaloric effects (i.e., the temperature change caused by the application or removal of an electric field) in ferroelectric materials could provide us with an alternative to current polluting cooling technologies. Ferroelecric/paraelectric superlattices, such as the PbTiO3/SrTiO3 system, usually present partly-disordered phases of high entropy (e.g., the so-called domain liquid state1) whose polarization can be condensed (frozen) under the application of an electric field, potentially triggering a large change in temperature. Here we present our latest theoretical results on such electrocaloric effects obtained from second principles simulations2.

Work funded by the Luxembourg National Research Fund through project C18/MS/12705883 *REFOX*.

1 P. Zubko et al., Nature 534, 524 (2016).

2 J.C. Wojdel et al., J. Phys.: Condens. Matt. 25, 305401 (2013).

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