中国物理B ›› 1993, Vol. 2 ›› Issue (8): 610-618.doi: 10.1088/1004-423X/2/8/007

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AN INVESTIGATION FOR THE Cd2+-VACANCIES IN RbCdF3 and CsCdF3 CRYSTALS DOPED WITH Fe3+ IMPURITIES

余万伦   

  1. Department of Physics, Sichuan Normal University, Chengdu 610066, China
  • 收稿日期:1992-03-30 修回日期:1992-11-13 出版日期:1993-08-20 发布日期:1993-08-20
  • 基金资助:
    Supported by the National Natural Science Foundation of China , and by the Committee of Science and Technology of Sichuan Province.

AN INVESTIGATION FOR THE Cd2+-VACANCIES IN RbCdF3 and CsCdF3 CRYSTALS DOPED WITH Fe3+ IMPURITIES

YU WAN-LUN (余万伦)   

  1. Department of Physics, Sichuan Normal University, Chengdu 610066, China
  • Received:1992-03-30 Revised:1992-11-13 Online:1993-08-20 Published:1993-08-20
  • Supported by:
    Supported by the National Natural Science Foundation of China , and by the Committee of Science and Technology of Sichuan Province.

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摘要： This paper presents high-order perturbation calculations for the zero-field splitting parameters D, F, and a of Fe3+-VCd pairs in RbCdF3 and CsCdF3 crystals doped with Fe3+ impurities. In comparison with experimental data, the present results are better than those obtained in previous work by using the phenomenological su-perposition model of spin-Hamiltonian. Moreover, the crystal fields arising from the Cd2+-vacancy and their induced crystal lattice distortion are analysed and calculated. It is found that the contribution from the Cd2+-vacancies cannot be ignored. Mena-while, we obtain that a ligand F- along the [001]-axis moves towards the central Fe3+ ion by Δ= 0.0020nm in RbCdF3 and 0.0028nm in CsCdF3. These results are quite different from Δ = 0.0104nm and Δ = 0.0112nm, respectively, obtained in previous work by using the superposition model of spin-Hamiltonian and ignoring the effect of the vacancy.

Abstract: This paper presents high-order perturbation calculations for the zero-field splitting parameters D, F, and a of Fe3+-VCd pairs in RbCdF3 and CsCdF3 crystals doped with Fe3+ impurities. In comparison with experimental data, the present results are better than those obtained in previous work by using the phenomenological su-perposition model of spin-Hamiltonian. Moreover, the crystal fields arising from the Cd2+-vacancy and their induced crystal lattice distortion are analysed and calculated. It is found that the contribution from the Cd2+-vacancies cannot be ignored. Mena-while, we obtain that a ligand F- along the [001]-axis moves towards the central Fe3+ ion by $\Delta$= 0.0020nm in RbCdF3 and 0.0028nm in CsCdF3. These results are quite different from $\Delta$ = 0.0104nm and $\Delta$ = 0.0112nm, respectively, obtained in previous work by using the superposition model of spin-Hamiltonian and ignoring the effect of the vacancy.

中图分类号:  (Point defects and defect clusters)

  • 61.72.J-
71.70.Jp (Nuclear states and interactions) 71.70.Ch (Crystal and ligand fields) 61.72.S- (Impurities in crystals)