| 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 Author | Zhang, H. M.(huamingzhang66@gmail.com) |
| 2011-09-01 | |
| Source Publication | ACTA PHYSICA POLONICA A
 |
| ISSN | 0587-4246 |
| Volume | 120Issue:3Pages:507-511 |
| Abstract | 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. |
| Funding Organization | Fundamental Research Funds for the Central Universities |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | Fundamental Research Funds for the Central Universities[ZYGX2010J047] |
| WOS Research Area | Physics |
| WOS Subject | Physics, Multidisciplinary |
| WOS ID | WOS:000294580900025 |
| Publisher | POLISH ACAD SCIENCES INST PHYSICS |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/104888 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Zhang, H. M. |
| Affiliation | 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 |
| 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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