Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir2+ centre in NaCl

doi:10.1007/s12043-010-0056-1

IMR OpenIR

	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
通讯作者	Wu, S. -Y.(shaoyi_wu@163.com)
	2010-04-01
发表期刊	PRAMANA-JOURNAL OF PHYSICS
ISSN	0304-4289
卷号	74 期号:4 页码:643-651
摘要	The 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.
关键词	Electron paramagnetic resonance crystal- and ligand-field theory Ir2+ NaCl
资助者	Program for Academic Excellence of UESTC
DOI	10.1007/s12043-010-0056-1
收录类别	SCI
语种	英语
资助项目	Program for Academic Excellence of UESTC
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
WOS记录号	WOS:000277147200012
出版者	INDIAN ACAD SCIENCES
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/118264
专题	中国科学院金属研究所
通讯作者	Wu, S. -Y.
作者单位	1.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
推荐引用方式 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.