Spin Hamiltonian parameters and local structures for CO2+ ions in calcite-type trigonal carbonates MCO3 (M = Co, Cd and Ca)

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	Spin Hamiltonian parameters and local structures for CO2+ ions in calcite-type trigonal carbonates MCO3 (M = Co, Cd and Ca)
	Z. Wen-Chen; W. Shao-Yi; D. Hui-Ning; T. Sheng
	2004
发表期刊	Journal of Magnetism and Magnetic Materials
ISSN	0304-8853
卷号	268 期号:1-2 页码:264-270
摘要	From the perturbation formulas based on the cluster approach for 3d(7) ion in trigonal octahedral sites of crystals, the spin Hamiltonian parameters (g factors g(parallel to), g(perpendicular to) and hyperfine structure constants A(parallel to), A(perpendicular to)) for Co2+ in calcite-type MCO3 (M = Co, Cd, Ca) crystals are calculated. In the calculations, for CoCO3 crystal, the structural data of pure crystal are used, whereas for the Co2+-doped CdCO3 and CaCO3 crystals, the local structural data caused by the impurity-induced local lattice relaxation are considered. The calculated results show good agreement with the observed values obtained from electron paramagnetic and antiferromagnetic resonance experiments. The difficulty shown in the previous paper related to the g(perpendicular to) value of CoCO3 obtained from the change of the g factor as a function of the crystallographic data (i.e., the unit cell parameters) a(0) and alpha(0) of pure MCO3 crystals is removed. (C) 2003 Elsevier B.V. All rights reserved.
部门归属	sichuan univ, dept mat sci, chengdu 610064, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. sichuan normal univ, inst solid state phys, chengdu 610054, peoples r china.;wen-chen, z (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china
关键词	Electron Paramagnetic Resonance MCo3 (m = Co Lattice Distortion Cd Crystal Field Ca): Co2++ Ligand Field Atomic Screening Constants Superposition Model Scf Functions Crystal Pressure Dependence Complexes Spectrum Sites
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WOS记录号	WOS:000186714900037
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/321006/35610
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Z. Wen-Chen,W. Shao-Yi,D. Hui-Ning,et al. Spin Hamiltonian parameters and local structures for CO2+ ions in calcite-type trigonal carbonates MCO3 (M = Co, Cd and Ca)[J]. Journal of Magnetism and Magnetic Materials,2004,268(1-2):264-270.
APA	Z. Wen-Chen,W. Shao-Yi,D. Hui-Ning,&T. Sheng.(2004).Spin Hamiltonian parameters and local structures for CO2+ ions in calcite-type trigonal carbonates MCO3 (M = Co, Cd and Ca).Journal of Magnetism and Magnetic Materials,268(1-2),264-270.
MLA	Z. Wen-Chen,et al."Spin Hamiltonian parameters and local structures for CO2+ ions in calcite-type trigonal carbonates MCO3 (M = Co, Cd and Ca)".Journal of Magnetism and Magnetic Materials 268.1-2(2004):264-270.