Berlin 2015 – wissenschaftliches Programm
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DF: Fachverband Dielektrische Festkörper
DF 15: Optical and Nonlinear Optical Properties II (DF with KR)
DF 15.2: Vortrag
Mittwoch, 18. März 2015, 15:20–15:40, EB 407
Influence of defects on the ferroelectric and electrocaloric properties of BaTiO3 — •Anna Grünebohm1 and Takeshi Nishimatsu2 — 1Fakultät für Physik, Uni Due, Germany — 2IMR, Tohoku University and Faculty of Physics, Japan
The electrocaloric effect is an adiabatic temperature change of a material upon applying an external electrical field.
Recently, this effect has been rediscovered as a promising candidate for solid state refrigeration as large temperature changes have been found in experiment and theoretical simulations.1,2,3
However, the underlying mechanisms for the large caloric response as well as possible obstacles are still not well understood.
In addition, the effective temperature range in pure ferroelectric materials is narrow.
We thus perform molecular dynamics simulations of an ab initio based effective Hamiltonian as implemented in the feram package3 in order to study
the effect of defects, strain, and alloying on the electrocaloric response and its operation range.
[1] A. Mishenko, et al, Science 311, 1270 (2006)
[2] I. Ponomareva et al, Phys. Rev. Lett. 108, 167604 (2012)
[3] T. Nishimatsu et al, J. Phys. Soc. Jpn., 82, 114605 (2013)