Studies of the local structures and spin Hamiltonian parameters for the two Rh(2+) centers in AgBr

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	Studies of the local structures and spin Hamiltonian parameters for the two Rh(2+) centers in AgBr
	H. M. Zhang; S. Y. Wu; P. Xu
	2011
发表期刊	Canadian Journal of Physics
ISSN	0008-4204
卷号	89 期号:2 页码:177-183
摘要	The local structures and the spin Hamiltonian parameters (the g-factors g(parallel to) and g(perpendicular to) and the superhyperfine parameters A(parallel to)' and A(perpendicular to)') are quantitatively studied for the two Rh(2+) L and H centers (denoting the tetragonally elongated and compressed [RhBr(6)](4-) clusters at low and high temperatures, respectively) in AgBr using the perturbation formulas of these parameters for a 4d(7) ion in tetragonally elongated and compressed octahedra. From the studies, the elongated L center originates from the relative elongation of the parallel Rh(2+)-Br(-) bonds by about 0.081 angstrom along the C(4) axis because of the Jahn-Teller effect. Nevertheless, the compressed center H is attributed to one next nearest neighbouring Ag(+) vacancy V(Ag) along the C(4) axis as the charge compensator, which compels the intervening ligand Br(-) in the Rh(2+) and the V(Ag) to shift away from the latter by about 0.148 angstrom because of the electrostatic repulsion. All the calculated spin Hamiltonian parameters based on the above local structures are in good agreement with the experimental data for both centers.
部门归属	[zhang, hua-ming; wu, shao-yi; xu, pei] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [wu, shao-yi] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;wu, sy (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;shaoyi_wu@163.com
关键词	Transition-metal Ions Epr Spectroscopic Investigations Electron-paramagnetic Resonance Atomic Screening Constants Superposition Model Scf Functions Symmetry Spectra Field Agcl
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/30880
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,P. Xu. Studies of the local structures and spin Hamiltonian parameters for the two Rh(2+) centers in AgBr[J]. Canadian Journal of Physics,2011,89(2):177-183.
APA	H. M. Zhang,S. Y. Wu,&P. Xu.(2011).Studies of the local structures and spin Hamiltonian parameters for the two Rh(2+) centers in AgBr.Canadian Journal of Physics,89(2),177-183.
MLA	H. M. Zhang,et al."Studies of the local structures and spin Hamiltonian parameters for the two Rh(2+) centers in AgBr".Canadian Journal of Physics 89.2(2011):177-183.