Investigations of the spin-Hamiltonian parameters and tetragonal compression due to the static Jahn-Teller effect for Cr(5+) center in cubic SrTiO(3) crystal

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	Investigations of the spin-Hamiltonian parameters and tetragonal compression due to the static Jahn-Teller effect for Cr(5+) center in cubic SrTiO(3) crystal
	Y. G. Yang; W. C. Zheng; P. Su; W. Q. Yang
	2010
发表期刊	Physica B-Condensed Matter
ISSN	0921-4526
卷号	405 期号:23 页码:4871-4874
摘要	By using the distortion model that the tetragonal site symmetry of Cr(5+) in cubic phase of SrTiO(3) originates from the static Jahn-Teller effect, the spin-Hamiltonian parameters (g factors g(parallel to), g(perpendicular to) and hyperfine structure constants A(parallel to), A(perpendicular to)) of this tetragonally compressed Cr(5+) center in SrTiO(3) are calculated from the high-order perturbation formulas based on a two-mechanism model. In the model, not only the contribution to spin-Hamiltonian parameters due to the crystal-field mechanism, but also that due to the charge-transfer mechanism (which is omitted in the extensively used crystal-field theory) are included. The calculated results are in reasonable agreement with the experimental values. The tetragonal compression (characterized by Delta R=R(perpendicular to) - R(parallel to), where R(perpendicular to) and R(parallel to) denote the metal-ligand distances perpendicular to and parallel with the C(4) axis) of Cr(5+) center is also obtained from the calculation. The results (including the tetragonal compression and the relative importance of the charge-transfer mechanism) are discussed. (C) 2010 Elsevier B.V. All rights reserved.
部门归属	[yang, yu-guang; zheng, wen-chen; su, ping; yang, wei-qing] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [yang, wei-qing] chengdu univ informat & technol, dept opt & elect, 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 Defect Structure Jahn-teller Effect Cr(5+) Srtio(3) Atomic Screening Constants Impurity Ions Scf Functions Doped Srtio3 Field Transition Epr Distances Spectra System
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31647
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. G. Yang,W. C. Zheng,P. Su,et al. Investigations of the spin-Hamiltonian parameters and tetragonal compression due to the static Jahn-Teller effect for Cr(5+) center in cubic SrTiO(3) crystal[J]. Physica B-Condensed Matter,2010,405(23):4871-4874.
APA	Y. G. Yang,W. C. Zheng,P. Su,&W. Q. Yang.(2010).Investigations of the spin-Hamiltonian parameters and tetragonal compression due to the static Jahn-Teller effect for Cr(5+) center in cubic SrTiO(3) crystal.Physica B-Condensed Matter,405(23),4871-4874.
MLA	Y. G. Yang,et al."Investigations of the spin-Hamiltonian parameters and tetragonal compression due to the static Jahn-Teller effect for Cr(5+) center in cubic SrTiO(3) crystal".Physica B-Condensed Matter 405.23(2010):4871-4874.