Theoretical study of local structure of tetragonal Fe3+ center in layered perovskite Rb2ZnF4 and Rb2CdF4

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	Theoretical study of local structure of tetragonal Fe3+ center in layered perovskite Rb2ZnF4 and Rb2CdF4
	M. L. Duan; X. Y. Kuang; J. H. Li; Z. Y. Jiao; Y. Xiong
	2007
发表期刊	Chemical Physics
ISSN	0301-0104
卷号	334 期号:1-3 页码:175-179
摘要	The electron paramagnetic resonance spectra of layered perovskite Rb2ZnF4 and Rb2CdF4 doped with Fe3+ are studied by means of a 252 x 252 complete energy matrix for a 3d(5) configuration ion in a tetragonal ligand-field. The local structure parameters R-perpendicular to and R-parallel to for Rb2ZnF4:Fe3+ and Rb2CdF4:Fe3+ systems are determined. The calculations show that the local lattice of the Rb2ZnF4:Fe3+ and Rb2CdF4:Fe3+ systems display a compression distortion relative to the regular octahedron. Besides, the value of R-perpendicular to in Rb2ZnF4 and Rb2CdF4 crystals is, respectively, larger than that in Rb2ZnF4:Fe3+ and Rb2CdF4:Fe3+ systems. This may be ascribed to the fact that Fe3+ ions have the smaller ionic radius and larger charge in comparison to Zn2+ and Cd2+ ions. In the end, the relative curves of 10(4)b(2)(0), vs. Delta R (Delta R = R-perpendicular to - R-parallel to) for these two systems are plotted which satisfy an approximately linear relation. (c) 2007 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.;kuang, xy (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;scu_kxy@163.com
关键词	Local Structure Complete Energy Matrix Epr Parameters Fe-3++ Centers Resonance Epr Crystals Spectroscopy Fluorides Spectra Complex Pbtio3 Ions
URL	查看原文
WOS记录号	WOS:000246549000020
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/33513
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	M. L. Duan,X. Y. Kuang,J. H. Li,et al. Theoretical study of local structure of tetragonal Fe3+ center in layered perovskite Rb2ZnF4 and Rb2CdF4[J]. Chemical Physics,2007,334(1-3):175-179.
APA	M. L. Duan,X. Y. Kuang,J. H. Li,Z. Y. Jiao,&Y. Xiong.(2007).Theoretical study of local structure of tetragonal Fe3+ center in layered perovskite Rb2ZnF4 and Rb2CdF4.Chemical Physics,334(1-3),175-179.
MLA	M. L. Duan,et al."Theoretical study of local structure of tetragonal Fe3+ center in layered perovskite Rb2ZnF4 and Rb2CdF4".Chemical Physics 334.1-3(2007):175-179.