中国物理B ›› 1993, Vol. 2 ›› Issue (8): 610-618.doi: 10.1088/1004-423X/2/8/007
余万伦
YU WAN-LUN (余万伦)
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.
中图分类号: (Point defects and defect clusters)