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The effect of local ordering on the structure phase transition in disordered KTa1/2Nb1/2O3 from first principles studies

โœ Scribed by Yanqing Shen; Zhongxiang Zhou


Book ID
116374932
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
230 KB
Volume
42
Category
Article
ISSN
0927-0256

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First-principles study of the difference
โœ Yadong Dai; Guanghui Zhao; Liling Guo; Hanxing Liu ๐Ÿ“‚ Article ๐Ÿ“… 2009 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 738 KB

This paper discusses the difference in permittivity at infrared frequencies between Ba(Mg 1/3 Ta 2/3 )O 3 (BMT) and Ba(Mg 1/3 Nb 2/3 )O 3 (BMN) based on a first-principles calculation. The permittivity, far-infrared and Raman spectra are successfully computed. Analysis of these results shows that th