Enhancement of electrocaloric response through quantum effects

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 $\mathrm{PbTi}{\mathrm{O}}_3$, and $\mathrm{BaTi}{\mathrm{O}}_3$, 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.

References in corpus (7)

• Giant electrocaloric effect in thin film Pb Zr_0.95 Ti_0.05 O_3
• Thermal properties of graphene: Fundamentals and applications
• First-principles theory of ferroelectric phase transitions for perovskites: The case of BaTiO3
• Direct and indirect electrocaloric measurements using multilayer capacitors
• Direct measurement of giant electrocaloric effect in BaTiO3 multilayer thick film structure beyond theoretical prediction
• The electrocaloric effect in BaTiO${}_3$ at all three ferroelectric transitions: anisotropy and inverse caloric effects
• Direct molecular dynamics simulation of electrocaloric effect in BaTiO3