Investigations on the defect structure and the EPR parameters for AgBr:Ir(2+)

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	Investigations on the defect structure and the EPR parameters for AgBr:Ir(2+)
	Y. X. Hu; S. Y. Wu; X. F. Wang; P. Xu
	2009
发表期刊	European Physical Journal-Applied Physics
ISSN	1286-0042
卷号	48 期号:2
摘要	The defect structure and the EPR parameters (the g factors, the hyperfine structure constants and the superhyperfine parameters) for the tetragonal Ir(2+) center in AgBr are theoretically investigated using the perturbation formulas of these parameters for a 5d(7) ion in tetragonally elongated octahedra. In the calculations, the contributions from the ligand orbital and spin-orbit coupling interactions and the local lattice (elongation) distortion due to the Jahn-Teller effect are taken into account. Related molecular orbital coefficients and the ligand unpaired spin densities are determined quantitatively using a cluster approach. The impurity center is attributed to the substitutional [IrBr(6)](4-) cluster on host Ag(+) site, which suffers the relative elongation of about 0.08 angstrom along C(4) axis due to the Jahn-Teller effect. The calculated EPR parameters based on the above Jahn-Teller elongation show good agreement with the observed values.
部门归属	[hu, y. -x.; wu, s. -y.; wang, x. -f.; xu, p.] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [wu, s. -y.] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;hu, yx (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;shaoyi_wu@163.com
关键词	Atomic Screening Constants Transition-metal Ions Silver Bromide Radiative Recombination Superposition Model Scf Functions Resonance Iridium Crystals Chloride
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31974
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. X. Hu,S. Y. Wu,X. F. Wang,et al. Investigations on the defect structure and the EPR parameters for AgBr:Ir(2+)[J]. European Physical Journal-Applied Physics,2009,48(2).
APA	Y. X. Hu,S. Y. Wu,X. F. Wang,&P. Xu.(2009).Investigations on the defect structure and the EPR parameters for AgBr:Ir(2+).European Physical Journal-Applied Physics,48(2).
MLA	Y. X. Hu,et al."Investigations on the defect structure and the EPR parameters for AgBr:Ir(2+)".European Physical Journal-Applied Physics 48.2(2009).