Theoretical Studies of the Spin Hamiltonian Parameters and Local Structures for the Two Tetragonal Cu2+ Centers in Ca(OH)(2)

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	Theoretical Studies of the Spin Hamiltonian Parameters and Local Structures for the Two Tetragonal Cu2+ Centers in Ca(OH)(2)
	Zhang, H. M.1,2; Wu, S. Y.1,3; Zhang, Z. H.1
通讯作者	Zhang, H. M.(huamingzhang66@gmail.com)
	2011-09-01
发表期刊	ACTA PHYSICA POLONICA A
ISSN	0587-4246
卷号	120 期号:3 页码:507-511
摘要	The spin Hamiltonian parameters (g factors g(parallel to), g(perpendicular to) and the hyperfine structure constants A(parallel to), A(perpendicular to)) and the local structures for the two tetragonal Cu2+ centers I and II in Ca(OH)(2) are theoretically studied from the perturbation formulae of these parameters for a 3d(9) ion under tetragonally elongated octahedra. The [Cu(OH)(6)](4-) clusters on the substitutional Ca2+ site are found to suffer the relative elongations by about 0.083 angstrom and 0.065 angstrom for centers I and II, respectively, along the C-4 axis due to the Jahn-Teller effect. The above etragonal elongations may entirely depress the original trigonal distortion of the host Ca2+ site in Ca(OH)(2). The calculated spin Hamiltonian parameters based on the above Jahn-Teller elongations show good agreement with the experimental results. The EPR spectra and the local structures for the two centers are compared with one another.
资助者	Fundamental Research Funds for the Central Universities
收录类别	SCI
语种	英语
资助项目	Fundamental Research Funds for the Central Universities[ZYGX2010J047]
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
WOS记录号	WOS:000294580900025
出版者	POLISH ACAD SCIENCES INST PHYSICS
引用统计	被引频次：3[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/321006/104888
专题	中国科学院金属研究所
通讯作者	Zhang, H. M.
作者单位	1.Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China 2.Nanchang Hangkong Univ, Key Lab Nondestruct Test, Minist Educ, Nanchang 330063, Peoples R China 3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Zhang, H. M.,Wu, S. Y.,Zhang, Z. H.. Theoretical Studies of the Spin Hamiltonian Parameters and Local Structures for the Two Tetragonal Cu2+ Centers in Ca(OH)(2)[J]. ACTA PHYSICA POLONICA A,2011,120(3):507-511.
APA	Zhang, H. M.,Wu, S. Y.,&Zhang, Z. H..(2011).Theoretical Studies of the Spin Hamiltonian Parameters and Local Structures for the Two Tetragonal Cu2+ Centers in Ca(OH)(2).ACTA PHYSICA POLONICA A,120(3),507-511.
MLA	Zhang, H. M.,et al."Theoretical Studies of the Spin Hamiltonian Parameters and Local Structures for the Two Tetragonal Cu2+ Centers in Ca(OH)(2)".ACTA PHYSICA POLONICA A 120.3(2011):507-511.