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

Ba ( Fe 1 / 2 Nb 1 / 2 ) O 3 ceramics are considered to be promising for technological applications 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-...

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Bibliographic Details
Published in:Journal of applied physics 2021-12, Vol.130 (21)
Main Authors: Ray, Rajyavardhan, Himanshu, A. K., Mandal, Golak K., Kumar, Uday, Jha, S. N., Patra, N., Bhattacharya, D., Shinde, A. B., Richter, Manuel, Krishna, P. S. R.
Format: Article
Language:English
Subjects:
Applied physics
Ceramics
Crystal structure
Fine structure
Neutron diffraction
Room temperature
X ray absorption
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Summary:Ba ( Fe 1 / 2 Nb 1 / 2 ) O 3 ceramics are considered to be promising for technological applications 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 Pm3¯m 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.
ISSN:0021-8979
1089-7550
DOI:10.1063/5.0068825