TY  - JOUR
AU  - Jiang, Z.
AU  - Zhang, R.
AU  - Li, F.
AU  - Jin, Lei
AU  - Zhang, N.
AU  - Wang, D.
AU  - Jia, C.-L.
TI  - Electrostriction coefficient of ferroelectric materials from ab initio computation
JO  - AIP Advances
VL  - 6
IS  - 6
SN  - 2158-3226
CY  - New York, NY
PB  - American Inst. of Physics
M1  - FZJ-2016-07382
SP  - 065122 -
PY  - 2016
AB  -  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. 
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000379041400049
DO  - DOI:10.1063/1.4954886
UR  - https://juser.fz-juelich.de/record/824880
ER  -