中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Investigations on the defect structure and the EPR parameters for AgBr:Ir(2+)

文献类型:期刊论文

作者Y. X. Hu ; S. Y. Wu ; X. F. Wang ; P. Xu
刊名European Physical Journal-Applied Physics
出版日期2009
卷号48期号:2
关键词atomic screening constants transition-metal ions silver bromide radiative recombination superposition model scf functions resonance iridium crystals chloride
ISSN号1286-0042
中文摘要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.
原文出处://WOS:000270906500017
公开日期2012-04-13
源URL[http://210.72.142.130/handle/321006/31974]  
专题金属研究所_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).

入库方式: OAI收割

来源:金属研究所

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