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Kumar, Uday
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Publications (4/4 displayed)
- 2023Effect of Pulsation in Microstructure and Mechanical Properties of Titanium Alloy-Annealed Welded Joints at Different Temperaturescitations
- 2022Fractography analysis into low-C steel undergone through various destructive mechanical testscitations
- 2019Revised crystal structure and electronic properties of Ba(Fe$_{1/2}$Nb$_{1/2}$)O$_{3}$ ceramics
- 2013Effects of octahedral tilting on the electronic structure and optical properties of $d^0$ double perovskites $mathbf{rm A_2ScSbO_6}$ ($mathbf{rm A=Sr, Ca}$)
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document
Revised crystal structure and electronic properties of Ba(Fe$_{1/2}$Nb$_{1/2}$)O$_{3}$ ceramics
Abstract
Ba(Fe$_{1/2}$Nb$_{1/2}$)O$_{3}$ (BFN) ceramics are considered to be a potential candidate for technological applications owing to their high dielectric constant over a wide range of temperature values. However, there exists considerable discrepancy over the structural details. We address this discrepancy through a comparative analysis of the earlier reported structures and combined X-Ray Diffraction (XRD) at room temperature and Neutron Powder Diffraction (NPD) measurements in the range of 5K up to room temperature. Our study reveals a cubic structure with space group $Pm{3}m$ at all measured temperatures. The local environment of the Fe ions is investigated using X-ray Near Edge Structure (XANES) and Extended X-ray Absorption Fine Structure (EXAFS) technique. A detailed investigation of the electronic properties of the synthesized BFN ceramics is carried out by combination of theoretical and experimental tools: X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS) and density functional theory (DFT) within GGA$+U$. The bandgap is estimated using the diffuse reflectance measurements in the UV-Vis-NIR range and an appropriate value of the electron-electron correlation strength $U$ is estimated based on the UV-Vis-NIR and the XAS spectra. <P />...