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Theoretical studies of the spin Hamiltonian parameters and the local structures for M2+ (M = Co, Mn, V and Ni) ions in CsMgCl3
Wu, SY; Yan, WZ; Gao, XY
Corresponding AuthorWu, SY(wushaoyi@netease.com)
2004-02-01
Source PublicationSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
ISSN1386-1425
Volume60Issue:3Pages:701-707
AbstractThe spin Hamiltonian parameters (zero-field splitting D, g factors g(parallel to), g(perpendicular to) and hyperfine structure constants A(parallel to), A(perpendicular to)) for M2+ (M = Co, Mn, V and Ni) ions in CsMgCl3 are studied by using the perturbation formulas of the spin Hamiltonian parameters for 3d(n) (n = 7, 5, 3, 8) ions in trigonal symmetry based on the cluster approach. In these formulas, the contributions to the spin Hamiltonian parameters from the admixture of d orbitals of the central ions with the p orbitals of the ligands and from the trigonal distortion are included and the parameters related to these effects can be obtained from the optical spectra and the local structures of the studied systems. Based on the studies, it is found that the local trigonal distortion angle beta in the M2+ impurity center is unlike that beta(H) (approximate to51.71degrees) in the host CsMgCl3. The spin Hamiltonian parameters for these divalent ions in CsMgCl3 are also satisfactorily explained by using the local angle beta. The validity of the results is discussed. (C) 2003 Elsevier B.V. All rights reserved.
Keywordelectron paramagnetic resonance crystal-field theory and spin Hamiltonians local structure m2+(M = Co, Mn, V and Ni) CSMgCl3
DOI10.1016/S1386-1425(03)00280-4
Indexed BySCI
Language英语
WOS Research AreaSpectroscopy
WOS SubjectSpectroscopy
WOS IDWOS:000188890200027
PublisherPERGAMON-ELSEVIER SCIENCE LTD
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Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/80740
Corresponding AuthorWu, SY
Affiliation1.Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China
2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
Recommended Citation
GB/T 7714
Wu, SY,Yan, WZ,Gao, XY. Theoretical studies of the spin Hamiltonian parameters and the local structures for M2+ (M = Co, Mn, V and Ni) ions in CsMgCl3[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2004,60(3):701-707.
APA Wu, SY,Yan, WZ,&Gao, XY.(2004).Theoretical studies of the spin Hamiltonian parameters and the local structures for M2+ (M = Co, Mn, V and Ni) ions in CsMgCl3.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,60(3),701-707.
MLA Wu, SY,et al."Theoretical studies of the spin Hamiltonian parameters and the local structures for M2+ (M = Co, Mn, V and Ni) ions in CsMgCl3".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 60.3(2004):701-707.
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