Enhancement of electrocaloric response through quantum effects

TL;DR

This paper introduces a semiclassical method incorporating quantum heat capacity effects to accurately simulate the electrocaloric response in ferroelectrics, revealing significant underestimations by classical models at low temperatures.

Contribution

The study presents a novel semiclassical approach that accounts for quantum effects in electrocaloric simulations, improving accuracy over classical methods.

Findings

Classical simulations underestimate electrocaloric response at low temperatures.

Quantum effects become significant in materials with Debye temperature above Curie point.

Tuning Debye temperature in composites can enhance electrocaloric effect.

Abstract

A semiclassical approach that incorporates quantum mechanical behavior of heat capacity in direct caloric effect simulations is proposed. Application of this methodology to study electrocaloric effect in prototypical ferroelectrics ${ \rm PbTiO_3 }$, and ${ \rm BaTiO_3 }$, reveals severe underestimation of electrocaloric response at lowest temperatures by classical simulations. The discrepancy between semiclassical and classical results are found to be largest in ferroics with Debye temperature exceeding the Curie point. A route to enhance electrocaloric effect by tuning the Debye temperature in composite materials is proposed.