【摘 要】
：
利用Ｒａｃａｈ不可约张量算符法和Ｗｉｎｇｅｒ定理，建立了ｄ３（Ｃ＊３υ）电子组态的能量矩阵及其全组态ＥＰＲ理论；借助Ｎｅｗｍａｎ的叠加晶场模型和自旋哈密顿理论，研究了ＥＰＲ参量与ＬｉＴａＯ３∶Ｃｒ３＋晶体结构参数之间的定量关系。在此基础上，研究了ＬｉＴａＯ３∶
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利用Ｒａｃａｈ不可约张量算符法和Ｗｉｎｇｅｒ定理，建立了ｄ３（Ｃ＊３υ）电子组态的能量矩阵及其全组态ＥＰＲ理论；借助Ｎｅｗｍａｎ的叠加晶场模型和自旋哈密顿理论，研究了ＥＰＲ参量与ＬｉＴａＯ３∶Ｃｒ３＋晶体结构参数之间的定量关系。在此基础上，研究了ＬｉＴａＯ３∶Ｃｒ３＋的ＥＰＲ参量及其电子光谱，理论与观测一致。定量研究表明：ＬｉＴａＯ３∶Ｃｒ３＋晶体中，Ｃｒ３＋离子取代了Ｔａ５＋离子而不是Ｌｉ＋离子。
Using Racah Irreducible Tensor Operator and Winger’s theorem, the energy matrix of d3 (C * 3υ) electronic configuration and its all-configuration EPR theory are established. By means of Newman’s superposition crystal field model and spin Hamiltonian theory, Quantitative relationship between EPR parameters and LiTaO3: Cr3 + crystal structure parameters. Based on this, the EPR parameters of LiTaO3:Cr3 + and its electronic spectra were studied, and the theory and observation were consistent. Quantitative studies show that: LiTaO3: Cr3 + crystals, Cr3 + ions instead of Ta5 + ions instead of Li + ions.
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