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The nonempirical calculation of the cation ordering and lattice dynamics in the solid solutions of PbSc1/2Nb1/2O3 and PbSc1/2Ta1/2O3

✍ Scribed by V.I. Zinenko; S.N. Sofronova


Publisher
John Wiley and Sons
Year
2004
Tongue
English
Weight
139 KB
Volume
1
Category
Article
ISSN
1862-6351

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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