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      https://www.ias.ac.in/article/fulltext/pram/072/03/0569-0575

    • Keywords

       

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

    • Abstract

       

      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.

    • Author Affiliations

       

      Wu Xiao-Xuan1 2 Fang Wang3 Feng Wen-Lin3 4 Zheng Wen-Chen3 2

      1. Department of Physics, Civil Aviation Flight University of China, Guanghan 618307, People's Republic of China
      2. International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang 110016, People's Republic of China
      3. Department of Material Science, Sichuan University, Chengdu 610064, People's Republic of China
      4. Department of Applied Physics, Chongqing Institute of Technology, Chongqing 400050, People's Republic of China

    • Dates

       
      Published
      March 2009
      Manuscript received
      23 April 2008
      Accepted
      16 September 2008

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