Spin-Hamiltonian parameters and defect structure for the rhombic Dy(3+) center in AgCl crystal

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	Spin-Hamiltonian parameters and defect structure for the rhombic Dy(3+) center in AgCl crystal
	W. C. Zheng; W. Q. Yang; H. G. Liu; P. Su
	2011
发表期刊	Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
ISSN	1386-1425
卷号	78 期号:1 页码:343-346
摘要	Based on the defect model that the rhombic Dy(3+) center in AgCl crystal is formed by substitutional Dy(3+) ion associated with two nearest Ag(+) vacancies (V(Ag)) along the (1 1 0) and ((1) over tilde (1) over tilde 0) axes owing to charge compensation, the spin-Hamiltonian parameters (g factors g(i) and hyperfine structure constants (161)A(i) and (163)A(i), where i=x, y, z) of this rhombic Dy(3+) center are calculated from a diagonalization (of energy matrix) method. In the method, the Zeeman (or magnetic) and hyperfine interaction terms are attached to the classical Hamiltonian used in the calculation of crystal-field energy levels and a 66 x 66 energy matrix concerning this Hamiltonian is constructed by taking all the ground-term multiplets (6)H(J) (J=15/2, 13/2, 11/2, 9/2, 7/2, 5/2) into account. The calculated results (g factors & and average vertical bar A((161)Dy(3+))vertical bar and vertical bar(A) over bar((163)Dy(3+))vertical bar) are in reasonable agreement with the experimental values. From the calculations, the above defect model of rhombic Dy(3+) center is confirmed, the defect structure of this Dy(3+) center (characterized by the displacement of Cl(-) ligand caused by VAg) is obtained and the components of hyperfine structure constants A(i)((161)Dy(3+)) and A(i)((163)Dy(3+)) are predicted. The results are discussed. (c) 2010 Elsevier B.V. All rights reserved.
部门归属	[zheng wen-chen; yang wei-qing; liu hong-gang; su ping] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [yang wei-qing] chengdu univ informat technol, dept photoelect technol, chengdu 610225, peoples r china. [zheng wen-chen] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;zheng, wc (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china;zhengwc1@163.com
关键词	Electron Paramagnetic Resonance Crystal- And ligAnd-field Theory Defect Structure Agcl Dy(3+) Electron-paramagnetic-resonance Silver-chloride Microcrystals Superposition-model Analysis Halide Photographic Process Magnetic-resonance Field Ion Epr Complexes Bromide
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/30975
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. C. Zheng,W. Q. Yang,H. G. Liu,et al. Spin-Hamiltonian parameters and defect structure for the rhombic Dy(3+) center in AgCl crystal[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2011,78(1):343-346.
APA	W. C. Zheng,W. Q. Yang,H. G. Liu,&P. Su.(2011).Spin-Hamiltonian parameters and defect structure for the rhombic Dy(3+) center in AgCl crystal.Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,78(1),343-346.
MLA	W. C. Zheng,et al."Spin-Hamiltonian parameters and defect structure for the rhombic Dy(3+) center in AgCl crystal".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 78.1(2011):343-346.