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Chemical Synthesis of Porous Barium Titanate Thin Film and Thermal Stabilization of Ferroelectric Phase by Porosity-Induced Strain
Published on: March 27, 2018
Finite-temperature properties of Ba(Zr,Ti)O3 relaxors from first principles
A R Akbarzadeh1, S Prosandeev, Eric J Walter
1Wiess School of Natural Sciences, Rice University, 6100 Main Street, MS-103, Houston, Texas 77005, USA.
Abstract:
A first-principles-based technique is developed to investigate the properties of Ba(Zr,Ti)O(3) relaxor ferroelectrics as a function of temperature. The use of this scheme provides answers to important, unresolved and/or controversial questions such as the following. What do the different critical temperatures usually found in relaxors correspond to? Do polar nanoregions really exist in relaxors? If yes, do they only form inside chemically ordered regions? Is it necessary that antiferroelectricity develop in order for the relaxor behavior to occur? Are random fields and random strains really the mechanisms responsible for relaxor behavior? If not, what are these mechanisms? These ab initio based calculations also lead to deep microscopic insight into relaxors.
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