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arXiv · 1512.05456

Electrostriction coefficient of ferroelectric materials from ab initio computation

Z. Jiang·R. Zhang·F. Li·L. Jin·N. Zhang·D. Wang·C. -L. Jia
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Abstract

Electrostriction is an important material property that characterizes how strain changes with the development of polarization inside a material. We show that \textit{ab initio }techniques developed in recent years can be exploited to compute and understand electrostriction of ferroelectric materials. Here, electrostriction coefficients of ferroelectric BaTiO$_{3}$, PbTiO$_{3}$, as well as dielectric BaZrO$_{3}$, are obtained and analyzed. Possible causes of the difference between experimental and numerical results are discussed. We also identified that relative displacements between certain ions at a given polarization could be a good indicator of a material's electrostriction property.

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Z. Jiang, R. Zhang, F. Li, L. Jin, N. Zhang, D. Wang, C. -L. Jia. 2016-06-22. Electrostriction coefficient of ferroelectric materials from ab initio computation. https://doi.org/10.1063/1.4954886

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