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


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

FERROELECTRICS, vol.302, pp.525-529, 2004 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 302
  • Publication Date: 2004
  • Doi Number: 10.1080/00150190490455214
  • Title of Journal : FERROELECTRICS
  • Page Numbers: pp.525-529

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.