Electrocaloric effects in the lead-free relaxor ferroelectric from atomistic simulations

Z Jiang, S Prokhorenko, S Prosandeev, Y Nahas… - Physical Review B, 2017 - APS
Physical Review B, 2017APS
Atomistic effective Hamiltonian simulations are used to investigate electrocaloric (EC) effects
in the lead-free Ba (Zr 0.5 Ti 0.5) O 3 (BZT) relaxor ferroelectric. We find that the EC
coefficient varies nonmonotonically with the field at any temperature, presenting a maximum
that can be traced back to the behavior of BZT's polar nanoregions. We also introduce a
simple Landau-based model that reproduces the EC behavior of BZT as a function of field
and temperature, and which is directly applicable to other compounds. Finally, we confirm …
Atomistic effective Hamiltonian simulations are used to investigate electrocaloric (EC) effects in the lead-free (BZT) relaxor ferroelectric. We find that the EC coefficient varies nonmonotonically with the field at any temperature, presenting a maximum that can be traced back to the behavior of BZT's polar nanoregions. We also introduce a simple Landau-based model that reproduces the EC behavior of BZT as a function of field and temperature, and which is directly applicable to other compounds. Finally, we confirm that, for low temperatures (i.e., in nonergodic conditions), the usual indirect approach to measure the EC response provides an estimate that differs quantitatively from a direct evaluation of the field-induced temperature change.
American Physical Society
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