Kimmel, AV;
Gindele, OT;
Duffy, DM;
Cohen, RE;
(2019)
Giant electrocaloric effect at the antiferroelectric-to-ferroelectric phase boundary in Pb(ZrxTi1–x)O3.
Applied Physics Letters
, 115
(2)
, Article 023902. 10.1063/1.5096592.
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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.
| Type: | Article |
|---|---|
| Title: | Giant electrocaloric effect at the antiferroelectric-to-ferroelectric phase boundary in Pb(ZrxTi1–x)O3 |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1063/1.5096592 |
| Publisher version: | https://doi.org/10.1063/1.5096592 |
| Language: | English |
| Additional information: | This version is the version of record. For information on re-use, please refer to the publisher’s terms and conditions. |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/10078594 |
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