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

Pramana

Zheng Wen-Chen²  Wu Xiao-Xuan1 2¹  Fang Wang²  Feng Wen-Lin3² 

[1] Department of Physics, Civil Aviation Flight University of China, Guanghan 618307, People's Republic of China$$;Department of Material Science, Sichuan University, Chengdu 610064, People's Republic of China$$

关键词: Electron paramagnetic resonance;    two-mechanism model;    defect structure;    Mn4+;    h-BaTiO3.;   

DOI  :  

学科分类：物理（综合）

来源: Indian Academy of Sciences

【 摘 要 】

The EPR parameters (𝑔 factors 𝑔 ∥, 𝑔 ⊥ 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 3𝑑3 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.

【 授权许可】

Unknown