【摘要】 应用晶体场理论和不可约张量算符方法构造了3d²/3d⁸态离子在C_3v对称晶场中包含自旋-轨道相互作用、自旋-自旋相互作用、自旋-其它轨道相互作用和其它轨道-其它轨道相互作用四种微观磁效应的完全能量哈密顿矩阵.利用该矩阵,计算了V³⁺:α-Al₂O₃晶体的光谱精细结构和晶体局域结构,进一步研究了V³⁺:α-Al₂O₃晶体的自旋-轨道相互作用、自旋-自旋相互作用、自旋-其它轨道相互作用和其它轨道-其它轨道相互作用和它们对光谱精细结构影响及Jahn-Teller效应.理论计算值和实验值相符合.结果发现,掺杂没有改变晶体的对称性、同时发现并合理解释了V³⁺对α-Al₂O₃晶体基态精细光谱中J-T效应的存在机理.更多还原

【Abstract】 The completely diagonalized Hamiltonian matrixes of 3d²/3d⁸ ion configurations which includes four kinds of microscopic magnetic interactions:spin-orbit interaction,spin-spin interaction, spin-other-orbit interaction and other orbit-other orbit interaction in the trigonal symmetry sites were established by means of crystal field theory and irreducible representation method.The spectral fine structure and local structure of V³⁺:α-Al₂O₃ crystal were calculated by the Hamiltonian matrixes.Spin-orbit interaction,spin-spin interaction,spin-other-orbit interaction,other-orbit-other-orbit interaction and their effects on the spectral fine structure and Jahn-Teller effect are all studied deeply.The calculated values were conformed with the experimental values.The results show that doping V³⁺ ions can not change the symmetry of crystal structure.There is Jahn-Teller effect in V³⁺:α-Al₂O₃ crystal.meanwhile, the Jahn-Teller effect in the spectral fine structure of V³⁺:α-Al₂O₃ crystal is found and explained.更多还原