Optical spectra, properties and first principles computations of Ba(Fe,Nb)O-3 and Pb(Fe,Nb)O-3

Demirbilek, Rıza; GUBAEV, AI; KUTSENKO, AB; KAPPHAN, SE; RAEVSKI, IP; PROSANDEEV, SA; BURTON, B; JASTRABIK, L; VIKHNIN, VS

doi:10.1080/00150190490455214

Optical spectra, properties and first principles computations of Ba(Fe,Nb)O-3 and Pb(Fe,Nb)O-3

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Demirbilek R., GUBAEV A., KUTSENKO A., KAPPHAN S., RAEVSKI I., PROSANDEEV S., ...More

FERROELECTRICS, vol.302, pp.525-529, 2004 (SCI-Expanded)

Publication Type: Article / Article
Volume: 302
Publication Date: 2004
Doi Number: 10.1080/00150190490455214
Journal Name: FERROELECTRICS
Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Page Numbers: pp.525-529
Yıldız Technical University Affiliated: No

Abstract

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 BaFe1/2 Nb1/2O3 is not ferroelectric, but PbFe1/2Nb1/2O3 does have a ferroelectric instability. These data confirm that the large dielectric permittivity found in BaFe1/2Nb1/2O3 is not due to a ferroelectric phase transition but rather because of extrinsic effects.