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
刊名	Physica B-Condensed Matter
	2010
卷号	405 期号:23 页码:4871-4874
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
ISSN号	0921-4526
中文摘要	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.
原文出处	://WOS:000285081600030
公开日期	2012-04-13
内容类型	期刊论文
源URL	[http://210.72.142.130/handle/321006/31647]
专题	金属研究所_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.