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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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