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Unveiling Electrocaloric Potential of Antiferroelectrics with Phase Competition
Author(s) -
Kingsland Maggie,
Lisenkov Sergey,
Ponomareva Inna
Publication year - 2018
Publication title -
advanced theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.068
H-Index - 17
ISSN - 2513-0390
DOI - 10.1002/adts.201800096
Subject(s) - electrocaloric effect , refrigeration , antiferroelectricity , phase transition , hysteresis , electric field , materials science , ferroelectricity , condensed matter physics , phase (matter) , maxwell relations , thermodynamics , physics , optoelectronics , dielectric , quantum mechanics , optical field , inhomogeneous electromagnetic wave equation
Currently, the electrocaloric effect (ECE) is considered for applications in solid‐state refrigeration. Direct semi‐classical first‐principles‐based simulation to the case of ultra‐thin PbZrO 3 films in order to unveil the unusual electrocaloric potential of antiferroelectrics with phase competition are applied. Strong enhancement of the ECE in the vicinity of the antiferroelectric–ferroelectric phase transition, the coexistence of electric‐field tunable positive and negative ECE in antiferroelectrics, and a large ECE in the vicinity of lossless antipolar–polar phase transitions are predicted. Direct simulations demonstrate that phase switching, which occurs with hysteretic losses, gives rise to the irreversible heating which is explained using basic thermodynamics. A refrigeration cycle that tames the irreversible heating is proposed, tested in direct simulations, and found to outperform the conventional cycle based on fully reversible processes. Furthermore, direct simulations reveal critical misconceptions in the application of the controversial indirect approach to the case of ferroics with electric hysteresis. The route to overcoming the uncertainties with this dominant ECE investigation approach is proposed.