Tetragonal distortion of structural defects in Cr3+ doped in several perovskites calculated from the EPR and optical data: A complete energy matrix study

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	Tetragonal distortion of structural defects in Cr3+ doped in several perovskites calculated from the EPR and optical data: A complete energy matrix study
	A. J. Mao; X. Y. Kuang
	2008
发表期刊	Journal of Physical Chemistry A
ISSN	1089-5639
卷号	112 期号:31 页码:7280-7285
摘要	This paper describes a novel application of a ligand field model in the study of the local molecular structure of the (CrF6)(3-) coordination complex. Based on the ligand field model, the complete energy matrix which contains the electron -electron repulsion interaction, the ligand field interaction, the spin-orbit coupling interaction, and the Zeeman interaction, has been constructed for a d(3) configuration ion in a tetragonal ligand field. In order to study the relation between the EPR, the optical spectra, and the local lattice structures around the centers with tetragonal symmetry in AMF(3) codoped with Cr3+ and Li+ ions, a three-layer-ligand model is proposed. By diagonalizing the complete energy matrix and employing the three-layer-ligand model, the variational ranges of the local structural parameters around the Cr3+ ions are determined, respectively. The results show that the local lattice structures around the Cr3+ ions in AMF3 exhibit a compressed distortion, and the magnitude of distorted parameter Delta R-1, of the Cr3+-V-M center is different from that of the Cr3+-Li+ center in AMF3. The,compressed distortion is ascribed to the fact that the radius of the Cr3+ ion is smaller than those of M2+ (M = Cd, Mg, Zn). Moreover, a linear correlation between the difference in the magnitude of distortion parameter Delta R for two different defect centers and the difference in the corresponding values of the zero-field-splitting parameter AD are found first.
部门归属	[mao, ai-jie; kuang, xiao-yu] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [kuang, xiao-yu] 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	Electron-paramagnetic-res D3 Crystal-field Spectra 7 Ions Spin-transition Thermal Hysteresis Room-temperature Spectroscopy Fluorides Compound Relaxation
URL	查看原文
WOS记录号	WOS:000258097800022
引用统计	被引频次：8[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/321006/33027
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	A. J. Mao,X. Y. Kuang. Tetragonal distortion of structural defects in Cr3+ doped in several perovskites calculated from the EPR and optical data: A complete energy matrix study[J]. Journal of Physical Chemistry A,2008,112(31):7280-7285.
APA	A. J. Mao,&X. Y. Kuang.(2008).Tetragonal distortion of structural defects in Cr3+ doped in several perovskites calculated from the EPR and optical data: A complete energy matrix study.Journal of Physical Chemistry A,112(31),7280-7285.
MLA	A. J. Mao,et al."Tetragonal distortion of structural defects in Cr3+ doped in several perovskites calculated from the EPR and optical data: A complete energy matrix study".Journal of Physical Chemistry A 112.31(2008):7280-7285.