氘化锂中Rh^(2+){A}中心g因子和超精细结构常数的理论研究  

Theoretical analysis of the g factors and hyperfine structure constants of the Rh^(2+){A} center in lithium deuteride

作　　者：张华明[1] 邬劭轶[1] 鲁广铎[1] 张志红[1] 魏丽华[1] 

机构地区：[1]电子科技大学应用物理系,四川成都610054

出　　处：《山东大学学报（理学版）》2008年第1期36-39,共4页Journal of Shandong University(Natural Science)

摘　　要：基于晶体场模型,建立了四角对称(压缩八面体)中4d7离子的各向异性g因子g‖、g⊥和超精细结构常数A‖、A⊥的微扰公式,并应用于氘化锂(LiD)中Rh2+{A}中心。考虑了立方场参量Dq、四角场参量Ds和Dt对g因子的贡献,以及芯区极化常数κ和杂质离子4d和5s轨道混合引起的缩小因子H对超精细结构常数的贡献。计算表明,理论与实验符合较好,对应的参量值分别为Ds≈-313 cm-1,Dt≈-52 cm-1,H≈0.502,即体系具有一定程度的四角畸变和中心离子5s轨道混合。Based on the crystal-field theory, the high-order perturbation formulae of the EPR parameters g factors g‖,g⊥ and the hyperfine structure constants A‖ , A⊥ for a 4d^7 ion in tetragonally compressed octahedra were established and applied to the EPR spectra for the Rh^2＋ {A} center in lithium deuteride. In the theoretical calculations, the contributions of the g factors from the cubic field parameter Dq and the tetragonal field parameters Ds and Dt were taken into account. In addition, the contributions of the hyperfine structure constants from the core polarization constant and the reduction factor H due to the admixture between the 4d and 5s orbitals of the central ion were also included. The calculated results show good agreement with the experimental data. The corresponding parameters are Ds ≈ - 313 cm^-1, Dt ≈ - 52 cm^- 1, H ≈ 0.502, suggesting that the system studied has some tetragonal distortion and admixture of the 5s orbitals of the central ion.

关 键 词：电子顺磁共振(EPR) 晶体场理论 Rh^2+离子 LID 

分 类 号：O737[理学—晶体学]