Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1528581 | Materials Science and Engineering: B | 2015 | 4 Pages |
•It is the first time that the electrocaloric response of KNbO3 is reported.•The results are explained in terms of the bonding by comparing KNbO3 to BaTiO3, which is a well-studied compound.•The results are well represented by a regression that allows for their application to engineering projects.
The electrocaloric response of KNbO3 is calculated using a first-principles based effective-Hamiltonian. Both indirect and direct molecular dynamics simulations are used to determine the adiabatic temperature change as a function of temperature and applied electric field. Both the magnitude of the electrocaloric response, ΔTmax, and the temperature where the maximum is observed, T*, are comparable for both molecular dynamics approaches. The results are well represented by a simple second-order regression.