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.
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