BARC/PUB/2021/0981

 
 

Revised crystal structure and electronic properties of high dielectric Ba(Fe1/2Nb1/2)O3 ceramics

 
     
 
Author(s)

Ray, R.; Himanshu, A. K.; Mandal, G. K.; Patra, N.; Bhattacharya, D.; Shinde, A. B.; and others
(SSPD)

Source

Journal of Applied Physics, 2021.: pp. 130: Article no. 214101

ABSTRACT

Ba(Fe1/2Nb1/2)O3 ceramics are considered to be promising for technological a pplications owing to their high dielectric constant over a wide range of temperatures. However, there exists considerable discrepancy over the structural details. We address this discrepancy through a combined x-ray diffraction at room temperature and neutron powder diffraction measurements in the range from 5 K up to room temperature, supplemented by a comparative analysis of the earlier reported structures. Our study reveals a cubic structure with space group Pm¯3m at all measured temperatures. Further, the x-ray near edge structure and extended x-ray absorption fine structure studies on the local environment of the Fe ions is consistent with the cubic symmetry. An appropriate value of U for DFT +U calculations is obtained by comparison with x-ray absorption spectroscopy, which agrees well with the earlier reported electronic properties.

 
 
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