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Studies of the g factors and the superhyperfine parameters for Ni3+ in the fluoroperovskites
Hu, Y. X.1; Wu, S. Y.1,2; Wang, X. F.1; Li, L. L.1
Corresponding AuthorWu, S. Y.(wushaoyi@netease.com)
2009-06-01
Source PublicationPRAMANA-JOURNAL OF PHYSICS
ISSN0304-4289
Volume72Issue:6Pages:989-997
AbstractThe g factors and the ligand superhyperfine parameters A' and B' for Ni3+ in KMgF3, CsCaF3 and RbCaF3 are theoretically studied from the formulas of these parameters for a 3d(7) ion under octahedral environments in the weak field scheme. The unpaired spin densities for the fluorine 2s, 2p, and 2p, orbitals are quantitatively determined from the molecular orbital and configuration interaction coefficients based on the cluster approach. The calculated results show good agreement with the experimental data, based on only one adjustable parameter (i.e., the proportionality factor p related to the ligand s- and p-orbitals). The superhyperfine parameters for the axial and planar ligands in RbCaF3:Ni3+ are satisfactorily interpreted from the different impurity-ligand distances due to the elongation of the ligand octahedron during cubic-to-tetragonal phase transition.
KeywordElectron paramagnetic resonance crystal- and ligand-field theory hyperfine interactions Ni3+ KMgF3 RbCaF3 CsCaF3
Funding OrganizationAcademic Excellence of UESTC
Indexed BySCI
Language英语
Funding ProjectAcademic Excellence of UESTC
WOS Research AreaPhysics
WOS SubjectPhysics, Multidisciplinary
WOS IDWOS:000268237500007
PublisherINDIAN ACAD SCIENCES
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/98571
Collection中国科学院金属研究所
Corresponding AuthorWu, S. Y.
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
Hu, Y. X.,Wu, S. Y.,Wang, X. F.,et al. Studies of the g factors and the superhyperfine parameters for Ni3+ in the fluoroperovskites[J]. PRAMANA-JOURNAL OF PHYSICS,2009,72(6):989-997.
APA Hu, Y. X.,Wu, S. Y.,Wang, X. F.,&Li, L. L..(2009).Studies of the g factors and the superhyperfine parameters for Ni3+ in the fluoroperovskites.PRAMANA-JOURNAL OF PHYSICS,72(6),989-997.
MLA Hu, Y. X.,et al."Studies of the g factors and the superhyperfine parameters for Ni3+ in the fluoroperovskites".PRAMANA-JOURNAL OF PHYSICS 72.6(2009):989-997.
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