Heat capacity and thermal transport revisited in displacive ferroelectrics
ORAL
Abstract
The collective excitation in displacive ferroelectrics, so called ferron, describes polarization fluctuations and exhibits a low excitation energy at long-wavelength limit. Essential contribution of this excitation to thermal properties can therefore be expected. Here, we study the temperature and external electric-field dependence of the ferron contribution to heat capacity and thermal transport, by incorporating the self-consistent renormalization theory of the phase transition of displacive ferroelectricity. We consider PbTiO3 as specific application, and the produced results can quantitively capture the experimental measurement. These findings offer unexpected prospects for the interplay between polarization fluctuations and thermal transport in ferroelectrics materials.
*This work was supported as part of the Computational Materials Sciences Program funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under Award No. DE-SC0020145 (G.D. Z., F. Y., and L.Q. C.). G.D. Z. and F.Y. also acknowledges the partial support from the Hamer Foundation through the Hamer Professorship at the Pennsylvania State University.
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Presenters
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Guodong Zhao
- Pennsylvania State University