Investigations on the local structure and spin Hamiltonian parameters for the orthorhombic Cu2+ center in Ca(OD)(2)

IMR OpenIR

	Investigations on the local structure and spin Hamiltonian parameters for the orthorhombic Cu2+ center in Ca(OD)(2)
	H. M. Zhang; S. Y. Wu; Z. H. Zhang; P. Xu
	2012
发表期刊	Journal of Structural Chemistry
ISSN	0022-4766
卷号	53 期号:2 页码:260-265
摘要	The local structure and the spin Hamiltonian parameters (the g factors g (i) (i = x, y, z) and the hyperfine structure constants A (i) ) for Cu2+-doped Ca(OD)(2) are theoretically investigated from the perturbation formulas of these parameters for a 3d (9) ion in an orthorhombically elongated octahedron. From the studies, the planar Cu2+-OD- bonds are found to experience the relative variation Delta R (a parts per thousand 0.014 ) along the X and Y axes, while those parallel to the Z axis may undergo the relative elongation Delta Z (a parts per thousand 0.25 ) due to the Jahn-Teller effect. The theoretical spin Hamiltonian parameters based on the above local lattice distortions agree well with the experimental data. As compared with the previous treatments, the improvements of the theoretical spin Hamiltonian parameters are achieved in this work by adopting the uniform calculation formulas and the tetragonal field parameters based on the superposition model.
部门归属	[zhang, h. m.; wu, s. y.; zhang, z. h.; xu, p.] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [zhang, h. m.] nanchang hangkong univ, minist educ, key lab nondestruct test, nanchang 330063, peoples r china. [wu, s. y.] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;zhang, hm (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china.;huamingzhang66@gmail.com
关键词	Electron Paramagnetic Resonance Crystal- And ligAnd-field Theory Cu2++ Ca(Od)(2) Superposition Model Ca(Oh)2 Epr Hyperfine Crystal Spectra Amorphization Phase Ions So2
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/60439
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. M. Zhang,S. Y. Wu,Z. H. Zhang,et al. Investigations on the local structure and spin Hamiltonian parameters for the orthorhombic Cu2+ center in Ca(OD)(2)[J]. Journal of Structural Chemistry,2012,53(2):260-265.
APA	H. M. Zhang,S. Y. Wu,Z. H. Zhang,&P. Xu.(2012).Investigations on the local structure and spin Hamiltonian parameters for the orthorhombic Cu2+ center in Ca(OD)(2).Journal of Structural Chemistry,53(2),260-265.
MLA	H. M. Zhang,et al."Investigations on the local structure and spin Hamiltonian parameters for the orthorhombic Cu2+ center in Ca(OD)(2)".Journal of Structural Chemistry 53.2(2012):260-265.