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First principles studies of the born effective charges and electronic dielectric tensors for the relaxor PMN (PbMg1/3Nb2/3O3)

✍ Scribed by Narayani Choudhury; R.E. Cohen; Eric J. Walter


Book ID
116374621
Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
599 KB
Volume
37
Category
Article
ISSN
0927-0256

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First-principles study of the difference
✍ Yadong Dai; Guanghui Zhao; Liling Guo; Hanxing Liu πŸ“‚ Article πŸ“… 2009 πŸ› Elsevier Science 🌐 English βš– 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