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ZPPH晶体中掺杂VO²⁺的吸收光谱与EPR参量的理论研究

Theoretical Studies on Absorption Spectra and EPR Parameters of ZPPH∶VO²⁺ Crystal

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【Author】 WANG Li-juan1,2,CAI Da-feng1,WU Ying3(1.School of Physics and Electronic Information Engineering,Neijiang Normal College,Neijiang 641112,China;2.School of Electrical Information Engineering,Southwest Nationalities University,Chengdu 610041,China;3.Physics and Electronic Information Department,Mianyang Normal University,Mianyang 621000,China)

【机构】内江师范学院物理与电子信息工程学院；西南民族大学电气信息工程学院；绵阳师范学院物理与电子信息工程系；

【摘要】本文基于晶体场理论,建立了10×10阶的3d1离子的全组态能级矩阵,由全对角化法(CDM)计算了ZPPH(ZnKPO4.6H2O)∶VO2+晶体的吸收光谱与顺磁g因子;同时,运用3d1离子在C4v对称下的能级公式和电子顺磁共振(EPR)参量高阶微扰(PTM)公式,计算了ZPPH∶VO2+晶体的光学吸收谱和EPR参量g因子g//,g⊥和超精细结构常数A//,A⊥,所得理论结果与实验符合。两种理论方法对比研究表明:对3d1(V4+)电子组态,微扰法所得结果是全对角化法所得结果的一种很好近似。对所得结果的合理性进行了讨论。更多还原

【Abstract】 On the basis of the crystal-field theory,the 10×10 orders energy matrix for 3d1 electronic configerations were established. The optical absorption spectra and paramagnetic g-factor of ZPPH (ZnKPO4·6H2O)∶VO2 have been obtained by the complete diagonalizing (the energy) matrix method (CDM). At the same time,the optical absorption spectra and electron paramagnetic resonance parameters for VO2+ doped in ZPPH crystal in tetragonal (C4v) symmetry are theoretically investigated by the perturbation-theory method (PTM). The calculated values (optical absorption spectra,g-factors g//,g⊥ and hyperfine structure constants A//,A⊥) showed good agreement with the experimental data. Comparing the PTM with the CDM,the PTM is a good approximation for the CDM. The reasonableness of these results were discussed.更多还原