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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
Corresponding AuthorZhang, H. M.(huamingzhang66@gmail.com)
2011-09-01
Source PublicationACTA PHYSICA POLONICA A
ISSN0587-4246
Volume120Issue:3Pages:507-511
AbstractThe 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.
Funding OrganizationFundamental Research Funds for the Central Universities
Indexed BySCI
Language英语
Funding ProjectFundamental Research Funds for the Central Universities[ZYGX2010J047]
WOS Research AreaPhysics
WOS SubjectPhysics, Multidisciplinary
WOS IDWOS:000294580900025
PublisherPOLISH ACAD SCIENCES INST PHYSICS
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/104888
Collection中国科学院金属研究所
Corresponding AuthorZhang, H. M.
Affiliation1.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
Recommended Citation
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.
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