EPR parameters and local lattice structure study of trigonal Fe3+ center in CSMgCl3 crystal

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	EPR parameters and local lattice structure study of trigonal Fe3+ center in CSMgCl3 crystal
	D. Dong; X. Y. Kuang; J. J. Guo; W. Hui
	2006
发表期刊	Chemical Physics
ISSN	0301-0104
卷号	326 期号:2-3 页码:371-374
摘要	The EPR parameters and local lattice structure study of trigonal Fe3+ center in CSMgCl3 crystal has been performed on the basis of the complete energy matrices for a d(5) configuration ion in a trigonal ligand field. It is indicated that the local lattice structure around a trigonal Fe3+ center has an elongation distortion along the crystalline c-axis, and the elongation magnitude of trigonal Fe3+ center is larger than that of the host Mg2+ ion. This may be ascribed to the fact that Fe2+ ion which exists in the as-grown CSMgCl3 crystal substitutes for Mg2+ ion. The Fe2+ ion whose radius is larger than that of host Mg2+ ion pushes the chlorine ligands upwards and downwards, respectively. Finally, the Fe2+ ion is changed into Fe3+ ion by X-ray irradiation. Simultaneously, for the trigonal Fe3+ center in the crystal, the local lattice structure parameters, R = 2.535 angstrom and theta = 50.314 degrees, are determined from our calculation, and EPR parameters b(2)(0), b(4)(0), and b(4)(3) also get a satisfactory explanation. (c) 2006 Elsevier B.V. All rights reserved.
部门归属	sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. acad sinica, int ctr mat phys, shenyang 110016, peoples r china. xihua univ, inst appl phys, chengdu 610039, peoples r china.;kuang, xy (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;dd_cp@163.com scu_kxy@163.com
关键词	Epr Parameters Local Lattice Structure Complete Energy Matrices Method Electron-paramagnetic-resonance Temperature-dependence Cross-relaxation Single-crystal Rate Constants Ions Pairs Mn Co
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WOS记录号	WOS:000239380700013
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/34173
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	D. Dong,X. Y. Kuang,J. J. Guo,et al. EPR parameters and local lattice structure study of trigonal Fe3+ center in CSMgCl3 crystal[J]. Chemical Physics,2006,326(2-3):371-374.
APA	D. Dong,X. Y. Kuang,J. J. Guo,&W. Hui.(2006).EPR parameters and local lattice structure study of trigonal Fe3+ center in CSMgCl3 crystal.Chemical Physics,326(2-3),371-374.
MLA	D. Dong,et al."EPR parameters and local lattice structure study of trigonal Fe3+ center in CSMgCl3 crystal".Chemical Physics 326.2-3(2006):371-374.