Optical Spectra, Properties and First Principles Computations of Ba(Fe, Nb)O3 and Pb(Fe, Nb)O3

Optical absorption in the IR region has been recorded and first-principles computations have been done for some Fe contining perovskites. The IR absorption reveals a broad peak at about 11000 cm −1 . First principles computations established that BaFe 1/2 Nb 1/2 O 3 is not ferroelectric, but PbFe 1/...

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Bibliographic Details
Published in:Ferroelectrics 2004-01, Vol.302 (1), p.279-283
Main Authors: DEMIRBILEK, R., I., A., KUTSENKO, A. B., KAPPHAN, S. E., RAEVSKI, I. P., PROSANDEEV, S. A., BURTON, B., JASTRABIK, L., VIKHNIN, V. S.
Format: Article
Language:English
Subjects:
High-k materials
IR absorption
perovskites
photocurrent
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Summary:Optical absorption in the IR region has been recorded and first-principles computations have been done for some Fe contining perovskites. The IR absorption reveals a broad peak at about 11000 cm −1 . First principles computations established that BaFe 1/2 Nb 1/2 O 3 is not ferroelectric, but PbFe 1/2 Nb 1/2 O 3 does have a ferroelectric instability. These data confirm that the large dielectric permittivity found in BaFe 1/2 Nb 1/2 O 3 is not due to a ferroelectric phase transition but rather because of extrinsic effects.
ISSN:0015-0193
1563-5112
DOI:10.1080/00150190490455214