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Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir2+ centre in NaCl
Hu, Y. -X.1; Wu, S. -Y.1,2; Wang, X. -F.1; Xu, P.1
Corresponding AuthorWu, S. -Y.(shaoyi_wu@163.com)
2010-04-01
Source PublicationPRAMANA-JOURNAL OF PHYSICS
ISSN0304-4289
Volume74Issue:4Pages:643-651
AbstractThe electron paramagnetic resonance (EPR) parameters (the g factors, hyperfine structure constants and the superhyperfine parameters) for the tetragonal Ir2+ centre in NaCl are theoretically investigated from the perturbation formulas of these parameters for a 5d(7) ion in tetragonally elongated octahedra. This impurity centre is attributed to the substitutional [IrCl6](4-) cluster on host Na+ site, associated with the 4% relative elongation along the C (4)-axis due to the Jahn-Teller effect. Despite the ionicity of host NaCl, the [IrCl6](4-) cluster still exhibits moderate covalency and then the ligand orbital and spin-orbit coupling contributions should be taken into account. In addition, the theoretical EPR parameters based on the Jahn-Teller elongation show good agreement with the observed values.
KeywordElectron paramagnetic resonance crystal- and ligand-field theory Ir2+ NaCl
Funding OrganizationProgram for Academic Excellence of UESTC
DOI10.1007/s12043-010-0056-1
Indexed BySCI
Language英语
Funding ProjectProgram for Academic Excellence of UESTC
WOS Research AreaPhysics
WOS SubjectPhysics, Multidisciplinary
WOS IDWOS:000277147200012
PublisherINDIAN ACAD SCIENCES
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/118264
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. Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir2+ centre in NaCl[J]. PRAMANA-JOURNAL OF PHYSICS,2010,74(4):643-651.
APA Hu, Y. -X.,Wu, S. -Y.,Wang, X. -F.,&Xu, P..(2010).Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir2+ centre in NaCl.PRAMANA-JOURNAL OF PHYSICS,74(4),643-651.
MLA Hu, Y. -X.,et al."Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir2+ centre in NaCl".PRAMANA-JOURNAL OF PHYSICS 74.4(2010):643-651.
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