Theoretical investigations of the spin Hamiltonian parameters for the two trigonal Cr3+ centers in GASH

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	Theoretical investigations of the spin Hamiltonian parameters for the two trigonal Cr3+ centers in GASH
	S. Y. Wu; H. N. Dong
	2005
发表期刊	Journal of Magnetism and Magnetic Materials
ISSN	0304-8853
卷号	285 期号:1-2 页码:169-176
摘要	The spin Hamiltonian (SH) parameters (zero-field splitting D. anisotropic g factors g(1), g(2), the hyperfine structure constants A(parallel to), A(perpendicular to), the nuclear quadrupole interaction constant Q' and the effective nuclear g value g(n)') for the two trigonal Cr-53(3+) centers I and II in guanidinium aluminum sulfate hexahydrate are theoretically investigated by using the perturbation formulas of the SH parameters for a 3d(3) ion in trigonal symmetry. According to the studies, the impurity-ligand bonding angles beta(i) in center I (or II) are found to be about 1degrees (or 0.9degrees) smaller than the corresponding metal-ligand bonding angles beta(i)(H) of the host Al3+ sites, and then the trigonal distortions for the impurity centers are also smaller than those in the hosts. The calculated SH parameters based oil the above local angles are in good agreement with the observed values of EPR and ENDOR measurements. Meanwhile, the negative D values for both centers are theoretically verified. Further, the quantitative expressions are established to associate the orbital coefficients a and h in the formula of A(parallel to) (or A(perpendicular to)) with the trigonal distortion of the studied impurity centers for the first time. The validity of the results is discussed. (C) 2004 Elsevier B.V. All rights reserved.
部门归属	univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. chongqing univ posts & telecommun, coll elect engn, chongqing 400065, peoples r china.;wu, sy (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;wushaoyi@netease.com
关键词	Electron-nuclear Double Resonance (Endor) Crystal Fields And Spin Hamiltonians Impurity Structures Cr3++ Guanidinium Aluminum Sulfate Hexahydrate (Gash) Aluminum Sulfate Hexahydrate Electron-paramagnetic-resonance Hyperfine Interaction Ions Crystal Temperature Pressure Spectra Transition Chromium
URL	查看原文
WOS记录号	WOS:000225750900022
引用统计	被引频次：10[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/321006/35129
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Y. Wu,H. N. Dong. Theoretical investigations of the spin Hamiltonian parameters for the two trigonal Cr3+ centers in GASH[J]. Journal of Magnetism and Magnetic Materials,2005,285(1-2):169-176.
APA	S. Y. Wu,&H. N. Dong.(2005).Theoretical investigations of the spin Hamiltonian parameters for the two trigonal Cr3+ centers in GASH.Journal of Magnetism and Magnetic Materials,285(1-2),169-176.
MLA	S. Y. Wu,et al."Theoretical investigations of the spin Hamiltonian parameters for the two trigonal Cr3+ centers in GASH".Journal of Magnetism and Magnetic Materials 285.1-2(2005):169-176.