Investigations of the EPR parameters and local structures for the substitutional Cu(2+) centers in the tungstates

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	Investigations of the EPR parameters and local structures for the substitutional Cu(2+) centers in the tungstates
	H. M. Zhang; S. Y. Wu; P. Xu; L. L. Li; S. X. Zhang
	2010
发表期刊	European Physical Journal-Applied Physics
ISSN	1286-0042
卷号	50 期号:3
摘要	The high order perturbation formulas of the electron paramagnetic resonance (EPR) parameters (the g factors and the hyperfine structure constants) are established for a 3d(9) ion in orthorhombically compressed octahedra. These formulas are applied to the investigations of the EPR spectra and local structures for the substitutional Cu(2+) centers in the wolframite-type tungstates AWO(4) (where A = Cd, Zn, Mg). Based on the studies, the [CuO(6)](10-) clusters are found to experience the local planar bond length variations delta R' (approximate to 0.096, 0.021 and 0.028 angstrom for CdWO(4), ZnWO(4) and MgWO(4), respectively) along X and Y-axes. These values are quite different from the host planar bond length variations delta R (approximate to 0.013, 0.069 and 0.005 angstrom) for the A(2+) sites in the pure tungstates. The above local bond length variations in the impurity centers can be attributed to the Jahn-Teller effect and size mismatching substitution. The theoretical EPR parameters based on the above local structures agree well with the experimental data. By adopting the uniform theoretical formulas and fewer adjustable parameters in this work, the improvements are achieved for the EPR parameters as compared with the previous calculation results.
部门归属	[zhang, h. -m.; wu, s. -y.; xu, p.; li, l. -l.; zhang, s. -x.] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [wu, s. -y.] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;zhang, hm (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;shaoyi_wu@163.com
关键词	Optical-absorption Spectra Single-crystals Superposition Model Znwo4 Luminescence Growth Cdwo4 Laser Ions Site
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31699
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. M. Zhang,S. Y. Wu,P. Xu,et al. Investigations of the EPR parameters and local structures for the substitutional Cu(2+) centers in the tungstates[J]. European Physical Journal-Applied Physics,2010,50(3).
APA	H. M. Zhang,S. Y. Wu,P. Xu,L. L. Li,&S. X. Zhang.(2010).Investigations of the EPR parameters and local structures for the substitutional Cu(2+) centers in the tungstates.European Physical Journal-Applied Physics,50(3).
MLA	H. M. Zhang,et al."Investigations of the EPR parameters and local structures for the substitutional Cu(2+) centers in the tungstates".European Physical Journal-Applied Physics 50.3(2010).