【摘要】 应用不可约张量方法和群的理论构造了三角对称晶场中考虑自旋-轨道相互作用,自旋-自旋相互作用的3d3/3d7离子的可完全对角化的120阶微扰哈密顿矩阵,利用该矩阵计算了红宝石晶体的基态能级、零场分裂参量和Jahn-Teller效应,研究了自旋-轨道的自旋二重态对基态能级的贡献,证明其二重态对基态能级的贡献是不可忽略的,理论计算值与实验值相符合.在此基础上,进一步研究了自旋-自旋相互作用对红宝石晶体的光谱精细结构和零场分裂参量的影响,发现自旋-自旋相互作用对零场分裂参量的影响是不可忽略的.更多还原

【Abstract】 The completely diagonalized Hamiltonian matrixes of order 120 of 3d3/3d7 ions configuration in the trigonal symmetry have been established by irreducible representation method and group theory,taking into account spin-orbit interaction and spin-spin interaction.The ground-state energy levels,the zero-splitting parameter and Jahn-Teller effect of ruby crystal were calculated with the matrixes.The contributions of spin doublets for the ground-state energy levels were studied.The results show that the contributions of doublets cannot be neglected.The values of theoretical calculation conform with the experiments.On this basis,the influence of spin-spin interaction on the fine structure and zero-field splitting parameter of ruby crystal was further studied,and we found that the influence of spin-spin interaction on the zero-field splitting cannot be neglected.更多还原