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Trigonal Distortions of the Cr3+ Octahedral Centers in Cr3+-Doped ABO3 (A = Sc, In, Lu) Crystals Obtained by Analyzing EPR Data

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Abstract

The spin-Hamiltonian parameters (g factors g//, g⊥ and zero-field splitting D) of the trigonal Cr3+ centers in Cr3+-doped ABO3 (A = Sc, In, Lu) borate crystals are computed from both the complete diagonalization (of energy matrix) method and also the perturbation method based on the two-spin–orbit-parameter model, where the contributions to spin-Hamiltonian parameters due to both the spin–orbit parameter of central dn ion and that of ligands via covalence effect are considered. The calculated results are compatible with those available in experiments. The defect structures of the trigonal (CrO6)9− octahedral centers are also evaluated from the calculations. It is found that the trigonal (MO6)9− octahedra change from the elongation in the host crystals to the compression in the impurity centers because of the large size and nature mismatch substitution in these Cr3+-doped ABO3 crystals. The results are discussed.

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Acknowledgements

This project is supported by the Initial Foundation of Mianyang Teachers’ College (grant no. MQD2011A05), the Project of Education Department in Sichuan Province (grant no. 17ZB0206).

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Authors and Affiliations

  1. School of Mechanical and Electrical Engineering, Mianyang Teachers’ College, Mianyang, 621000, People’s Republic of China

    R. M. Peng

  2. School of Mathematics and Physics, Mianyang Teachers’ College, Mianyang, 621000, People’s Republic of China

    Y. Mei

  3. Department of Material Science, Sichuan University, Chengdu, 610064, People’s Republic of China

    H. G. Liu & W. C. Zheng

Authors
  1. R. M. Peng
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  2. Y. Mei
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  3. H. G. Liu
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  4. W. C. Zheng
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Correspondence to Y. Mei.

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Peng, R.M., Mei, Y., Liu, H.G. et al. Trigonal Distortions of the Cr3+ Octahedral Centers in Cr3+-Doped ABO3 (A = Sc, In, Lu) Crystals Obtained by Analyzing EPR Data. Appl Magn Reson 49, 285–292 (2018). https://doi.org/10.1007/s00723-017-0976-8

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  • DOI: https://doi.org/10.1007/s00723-017-0976-8

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