Abstract
Electrocaloric effect in antiferroelectric PbZrO3 thin films that undergo antiferroelectric-ferroelectric phase transition upon cooling down is investigated using atomistic first-principles-based simulations. It is found that such a phase transition is associated with a large positive electrocaloric response that can reach 13K under electric field of 500kV/cm. High tunability of the phase transition by the electric field leads to a wide range of temperatures associated with strong electrocaloric response. Epitaxial strain was found to provide further tunability to the electrocaloric properties. Large intrinsic electrocaloric effect at the antiferroelectric-ferroelectric phase transition and its high tunability by the electric field offer promising technological applications.
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