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Investigation of the optical spectra and spin-Hamiltonian parameters for the rhombic Cu2+ center in beta-Ca-3(PO4)(2)
Zheng, Wen-Chen1; Zhang, Dong-Ting1; He, Lv2,3; Su, Ping1
Corresponding AuthorZheng, Wen-Chen(zhengwc1@163.com)
2011-08-01
Source PublicationPHYSICA SCRIPTA
ISSN0031-8949
Volume84Issue:2Pages:4
AbstractThe four optical band positions and six spin-Hamiltonian parameters (the g factors g(i) and the hyperfine structure constants A(i), i = x, y, z) for the rhombic Cu2+ center in fi-Ca-3(PO4)(2) are calculated by two theoretical methods: the complete diagonalization (of energy matrix) method and the perturbation theory method (PTM). Both methods are based on the cluster approach, in which the covalence due to admixture of ligands to the central metal ion is considered. The calculated results of the two methods are close to each other and agree with the experimental values. This suggests that both methods are effective in explaining the optical and electron paramagnetic resonance data for d(9) ions in crystals. The calculations also show that although the admixture of vertical bar d(z)(2)> to the ground state wave function is small, it should not be neglected in calculations of spin-Hamiltonian parameters. So, in PTM, the high-order perturbation formulae of spin-Hamiltonian parameters based on the cluster approach for d(9) ion in rhombic symmetry should be derived by taking into account the admixture of the vertical bar d(z)(2)> state to the vertical bar d(x2-y2)> ground state.
DOI10.1088/0031-8949/84/02/025702
Indexed BySCI
Language英语
WOS Research AreaPhysics
WOS SubjectPhysics, Multidisciplinary
WOS IDWOS:000294727900028
PublisherIOP PUBLISHING LTD
Citation statistics
Cited Times:6[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/104296
Collection中国科学院金属研究所
Corresponding AuthorZheng, Wen-Chen
Affiliation1.Sichuan Univ, Dept Mat Sci, Chengdu 610064, Peoples R China
2.Zhejiang Normal Univ, Dept Phys, Jinhua 321004, Peoples R China
3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
Recommended Citation
GB/T 7714
Zheng, Wen-Chen,Zhang, Dong-Ting,He, Lv,et al. Investigation of the optical spectra and spin-Hamiltonian parameters for the rhombic Cu2+ center in beta-Ca-3(PO4)(2)[J]. PHYSICA SCRIPTA,2011,84(2):4.
APA Zheng, Wen-Chen,Zhang, Dong-Ting,He, Lv,&Su, Ping.(2011).Investigation of the optical spectra and spin-Hamiltonian parameters for the rhombic Cu2+ center in beta-Ca-3(PO4)(2).PHYSICA SCRIPTA,84(2),4.
MLA Zheng, Wen-Chen,et al."Investigation of the optical spectra and spin-Hamiltonian parameters for the rhombic Cu2+ center in beta-Ca-3(PO4)(2)".PHYSICA SCRIPTA 84.2(2011):4.
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