Theoretical studies of EPR g ‐factors and microstructure of the two tetragonal palladium centers in silver chloride
Theoretical studies of EPR g ‐factors and microstructure of the two tetragonal palladium centers in silver chloride
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DOI：
10.1002/pssb.200945131
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发表时间：
2009-08
期刊：
影响因子：
--
通讯作者：
W. Feng
中科院分区：
文献类型：
--
作者：
W. Feng
利用基态四重对称的4d 9离子EPR参量的高阶微扰公式，计算了AgCl晶体中两个四重Pd+杂质中心（即Pd+ I和II中心）的EPR g因子g_f，g_f| dx 2-y 2 π。在此基础上，提出了两个中心的缺陷模型为Ag+离子与（PdCl_6）_5-或[（PdCl_6）_5- - VAg+]团簇的置换。（© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA，魏因海姆）
The EPR g ‐factors g∥, g⊥ for two tetragonal Pd+ impurity centers (i.e. Pd+ I and II centers) in AgCl crystal are calculated by using the high‐order perturbation formulas of EPR parameters for the 4d9 ion in tetragonal symmetry with the ground state |dx 2–y 2〉. Based on the calculations, the defect models for the two centers are suggested as a substitutional Ag+ ion with (PdCl6)5– or the [(PdCl6)5– – VAg+] cluster. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)