• Wu Xiao-Xuan

Articles written in Pramana – Journal of Physics

• Electron paramagnetic resonance parameters of Mn4+ ion in h-BaTiO3 crystal from a two-mechanism model

The EPR parameters (𝑔 factors $g\parallel$, $g\perp$ and zero-field splitting 𝐷) of Mn4+ ion in h-BaTiO3 crystal are calculated from the complete high-order perturbation formulas based on a two-mechanism model for the EPR parameters of $3d^{3}$ ions in trigonal symmetry. In the model, not only the widely used crystal-field mechanism, but also the charge-transfer mechanism (which is not considered in crystal-field theory) are included. The calculated results are in reasonable agreement with the experimental values. The relative importance of charge-transfer mechanism to EPR parameters and the defect structure of Mn4+ centre in h-BaTiO3 crystal obtained from the calculations are discussed.

• Pramana – Journal of Physics

Volume 94, 2020
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Posted on July 25, 2019