Predicted half-metallicity and ferromagnetism in the Fe (III) doped BaZrO3 perovskite: A theoretical insight

Volume: 11, Issue: 5, Pages: 055104 - 055104
Published: May 1, 2021
Abstract
The variance in the magnetoelectric behavior of BaZrO3 owing to the doping of Fe (III) on the Zr-site has been studied based on density functional calculations. We can predict the structural parameters, electronic structure, and ferromagnetic properties of BaFexZr1−xO3 precisely deprived of considering any strong correlation effect in the calculations. The equilibrium structural parameters are accounted to be in concurrence with the former...
Paper Details
Title
Predicted half-metallicity and ferromagnetism in the Fe (III) doped BaZrO3 perovskite: A theoretical insight
Published Date
May 1, 2021
Volume
11
Issue
5
Pages
055104 - 055104
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