Calculating Hamiltonian parameters for Yb3+ in a low-symmetry lattice site, and fitting the structure and levels of Yb3+:RETaO4 (RE=Gd, Y, and Sc)

doi:10.1088/1674-1056/22/6/067105

Abstract An iterative method is used to find the values of the Hamiltonian parameters for Yb³⁺ in a given low-symmetry crystalline site. Samples of Yb³⁺:RETaO₄ (RE=Gd, Y, and Sc) were prepared and their structures were determined. Based on the obtained structure 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 Yb³⁺: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 Yb³⁺ in low-symmetry crystalline sites.

Keywords: crystal field parameter rare earth X-ray diffraction Yb³⁺:RETaO₄

Received: 03 October 2012
Revised: 27 December 2012
Accepted manuscript online:

PACS:	71.70.Ch	(Crystal and ligand fields)
	61.66.Fn	(Inorganic compounds)
	61.10.-I
	78.60.-b	(Other luminescence and radiative recombination)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 90922003, 51172236, and 50872135) and the Knowledge Innovation Program of the Chinese Academy of Sciences (Grant No. YYYJ-1002).

Corresponding Authors: Zhang Qing-Li
E-mail: zql@aiofm.ac.cn

Cite this article:

Zhang Qing-Li (张庆礼), Ning Kai-Jie (宁凯杰), Ding Li-Hua (丁丽华), Liu Wen-Peng (刘文鹏), Sun Dun-Lu (孙敦陆), Jiang Hai-He (江海河), Yin Shao-Tang (殷绍唐) Calculating Hamiltonian parameters for Yb³⁺ in a low-symmetry lattice site, and fitting the structure and levels of Yb³⁺:RETaO₄ (RE=Gd, Y, and Sc) 2013 Chin. Phys. B 22 067105

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Calculating Hamiltonian parameters for Yb3+ in a low-symmetry lattice site, and fitting the structure and levels of Yb3+:RETaO4 (RE=Gd, Y, and Sc)

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Calculating Hamiltonian parameters for Yb³⁺ in a low-symmetry lattice site, and fitting the structure and levels of Yb³⁺:RETaO₄ (RE=Gd, Y, and Sc)