Journal Article

FZJ-2016-07382

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Electrostriction coefficient of ferroelectric materials from ab initio computation

Jiang, Z. ; Zhang, R. ; Li, F. ; Jin, L. ; Zhang, N. ; Wang, D. (Corresponding author) ; Jia, C.-L.FZJ*

2016
American Inst. of Physics New York, NY

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Please use a persistent id in citations: http://hdl.handle.net/2128/13173  doi:10.1063/1.4954886

Abstract: Electrostriction is an important material property that characterizes how strain changes with the development of polarization inside a material. We show that ab initio techniques developed in recent years can be exploited to compute and understand electrostriction of ferroelectric materials. Here, electrostriction coefficients of ferroelectric BaTiO3, PbTiO3, as well as dielectric BaZrO3, 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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Contributing Institute(s):

1. Mikrostrukturforschung (PGI-5)

Research Program(s):

1. 143 - Controlling Configuration-Based Phenomena (POF3-143) (POF3-143)

Appears in the scientific report 2016

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Database coverage:
; ; ; ; Current Contents - Physical, Chemical and Earth Sciences ; DOAJ Seal ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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