Giant electrocaloric effect at the antiferroelectric-to-ferroelectric phase boundary in Pb(ZrxTi1–x)O3
Abstract
Molecular dynamics simulations predict a giant electrocaloric effect at the ferroelectric-antiferroelectric phase boundary in PZT (PbTiO3-PbZrO3). These large-scale simulations also give insights into the atomistic mechanisms of the electrocaloric effect in Pb(ZrxTi1–x)O3. We predict a positive electrocaloric effect in ferroelectric PZT, but antiferroelectric PZT exhibits a negative-to-positive crossover with the increasing temperature or electric field. At the antiferroelectric-to-ferroelectric phase boundary, we find complex domain patterns. We demonstrate that the origin of the giant electrocaloric change of temperature is related to the easy structural response of the dipolar system to external stimuli in the transition region.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jul 08, 2019
- Source ID
- 10.1063/1.5096592
Entities
People
- A. V. Kimmel
- Dorothy M Duffy
- Oliver Gindele
- Ronald E Cohen
Organizations
- FP7 Ideas: European Research Council
- Horizon 2020
- NanoGUNE
- Office of Naval Research
- University College London