Configuration dependence of physical properties of a ferroelectric solid solution
作者:
Eric Cockayne,
Karin M. Rabe,
期刊:
AIP Conference Proceedings
(AIP Available online 1998)
卷期:
Volume 436,
issue 1
页码: 71-80
ISSN:0094-243X
年代: 1998
DOI:10.1063/1.56282
出版商: AIP
数据来源: AIP
摘要:
In this article, we motivate the detailed comparison of the physical properties of individual configurations of a ferroelectric solid solution as a means toward developing first principles models for these systems. We compare energies, dielectric constants&egr;∞,mode effective charges of local polar distortions, and the zero temperature piezoelectric behavior of several orderedPb3GeTe4supercells. Cluster expansions of these properties show the importance of second-neighbor effects, which can be related to symmetry-preserving relaxation and its effect on the symmetry breaking polar instabilities. ©1998 American Institute of Physics.
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