Calculating Hamiltonian parameters for Yb^3＋ in a low-symmetry lattice site, and fitting the structure and levels of Yb^3＋ ：RETaO4 （RE = Gd, Y, and Sc）

An iterative method is used to find the values of the Hamiltonian parameters for Yb^3＋ in a given low-symmetry crys- talline site. Samples of Yb^3＋ ：RETaO4 （RE = Gd, Y, and Sc） were prepared and their structures were determined. Based on the obtained structural data, their orbital-spin parameters an...

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Bibliographic Details
Published in:中国物理B：英文版 2013 (6), p.522-529
Main Author: 张庆礼 宁凯杰 丁丽华 刘文鹏 孙敦陆 江海河 殷绍唐
Format: Article
Language:English
Online Access:Get full text
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Summary:An iterative method is used to find the values of the Hamiltonian parameters for Yb^3＋ in a given low-symmetry crys- talline site. Samples of Yb^3＋ ：RETaO4 （RE = Gd, Y, and Sc） were prepared and their structures were determined. Based on the obtained structural data, their orbital-spin parameters and crystal field parameters were fitted by the superposition model （SM）. Using the crystal field parameters obtained by the SM fitting as the initial parameters, the Hamiltonian parameters were fitted iteratively. The calculated and experimental energy levels for Yb^3＋：RETaO4 are consistent, and the maximal mean-root-square deviation is only 2.84 cm^- 1, indicating that the method is effective to determine the Hamiltonian parameters of Yb^3＋ in low-symmetry crystalline sites.
ISSN:1674-1056
2058-3834