| Studies of the spin-Hamiltonian parameters and the defect structure for Cu2+ at the rhombic Be2+ site of beryl crystal | |
| Fang Wang1; Zheng Wen-Chen2,3 | |
| Corresponding Author | Fang Wang(mailfangwang@163.com) |
| 2009-07-01 | |
| Source Publication | PHYSICA B-CONDENSED MATTER
 |
| ISSN | 0921-4526 |
| Volume | 404Issue:14-15Pages:2025-2027 |
| Abstract | The spin-Hamiltonian (SH) parameters (g factors g(i) and hyperfine structure constants A(i), where i = x, y, z) for Cu2+ at the rhombic Be2+ site of beryl (Be3Al2Si6O18) crystals are calculated from both the perturbation theory method (PTM) and the complete diagonalization (of energy matrix) method (CDM). The two methods are based on the cluster approach and so both the contribution to the SH parameters from the spin-orbit coupling parameters of central d(n) ion and that of ligand ion are included. The calculated results from the two theoretical methods are in reasonable agreement with the experimental values, suggesting that both methods are effective for the studies of SH parameters of 3d(9) ion in rhombic symmetry. The defect structural data (which are unlike the corresponding data in the host beryl crystal) of the rhombic Cu2+ center in beryl are also acquired from the calculations. The results are discussed. (C) 2009 Elsevier B.V. All rights reserved. |
| Keyword | Electron paramagnetic resonance Crystal- and ligand-field theory Defect structure Cu2+ Beryl |
| DOI | 10.1016/j.physb.2009.03.039 |
| Indexed By | SCI |
| Language | 英语 |
| WOS Research Area | Physics |
| WOS Subject | Physics, Condensed Matter |
| WOS ID | WOS:000267408000033 |
| Publisher | ELSEVIER SCIENCE BV |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/99377 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Fang Wang |
| Affiliation | 1.Chongqing Univ Sci & Technol, Dept Math & Phys, Chongqing 401331, Peoples R China 2.Sichuan Univ, Dept Mat Sci, Chengdu 610064, Peoples R China 3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China |
| Recommended Citation GB/T 7714 | Fang Wang,Zheng Wen-Chen. Studies of the spin-Hamiltonian parameters and the defect structure for Cu2+ at the rhombic Be2+ site of beryl crystal[J]. PHYSICA B-CONDENSED MATTER,2009,404(14-15):2025-2027. |
| APA | Fang Wang,&Zheng Wen-Chen.(2009).Studies of the spin-Hamiltonian parameters and the defect structure for Cu2+ at the rhombic Be2+ site of beryl crystal.PHYSICA B-CONDENSED MATTER,404(14-15),2025-2027. |
| MLA | Fang Wang,et al."Studies of the spin-Hamiltonian parameters and the defect structure for Cu2+ at the rhombic Be2+ site of beryl crystal".PHYSICA B-CONDENSED MATTER 404.14-15(2009):2025-2027. |
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