【摘要】 应用不可约张量理论构造了三角对称晶场中3d2/3d8态离子的45阶可完全对角化的微扰哈密顿矩阵,研究了CsNiCl3晶体的光谱精细结构、晶体结构、零场分裂参量、Jahn_Telller效应以及自旋单重态对Ni2+离子基态能级的影响,理论与实验相符合.在此基础上,进一步研究了以前工作中被忽略的自旋_自旋耦合作用和Trees修正对CsNiCl3晶体的光谱精细结构和零场分裂参量的影响,发现有四种机理会影响零场分裂参量:1)自旋-轨道耦合机理,2)自旋_自旋耦合机理;3)自旋_轨道与自旋_自旋联合耦合机理;4)自旋_轨道与Trees修正联合耦合机理,其中自旋_轨道耦合机理是最主要的,其他三种机理也是不可忽略的.更多还原

【Abstract】 The complete diagonalized Hamiitonian matrixes of 3d+2/3d+8 ion configuration with trigonal symmetry have been established by irreducible representation method.The spectral hyper-fine structure and the constants of crystal structure and zero-field splitting parameters of CsNiCl₃ crystal,as well as the Jahn-Teller effect and the influence of the spin singlet on the ground levels of Ni+{2+} ion have been studied.The results agree with the experimental facts.Besides,taking into account the influence of the spin-spin（SS）coupling interactions and the Trees correction which were neglected in previous publications,we find that the zero-field splitting parameters arise from four mechanisms,namely:（1）Spin-orbit coupling mechanism;（2）Spin-spin coupling mechanism;（3）Spin-orbit and spin-spin combined coupling mechanism;（4）Spin-orbit and Trees correction combined coupling mechanism.The spin-orbit coupling mechanism is the most important one and the other three mechanisms can not be neglected.更多还原