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Finite-temperature investigation of ferroelectric solid solutions from first-principles: Application to the structural properties ofPb(Zr0.5Ti0.5)O3

 

作者: L. Bellaiche,   Alberto Garcı´a,   David Vanderbilt,  

 

期刊: AIP Conference Proceedings  （AIP Available online 1900）
卷期: Volume 535, issue 1  

页码: 79-87

 

ISSN:0094-243X

 

年代: 1900

 

DOI:10.1063/1.1324442

 

出版商: AIP

 

数据来源: AIP

 

摘要:

The first-principle-derived approach proposed in Ref. [1] is used to study structural properties ofPb(Zr0.5Ti0.5)O3alloys at finite-temperature. Predictions are in excellent agreement with experimental data and direct first-principles results. Other possibilities offered by this approach are also discussed. ©2000 American Institute of Physics.

 

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