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.
Received: 30 March 1992
Revised: 13 November 1992
Accepted manuscript online:
Fund: Supported by the National Natural Science Foundation of China , and by the Committee of Science and Technology of Sichuan Province.
Cite this article:
YU WAN-LUN (余万伦) AN INVESTIGATION FOR THE Cd2+-VACANCIES IN RbCdF3 and CsCdF3 CRYSTALS DOPED WITH Fe3+ IMPURITIES 1993 Acta Physica Sinica (Overseas Edition) 2 610
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