摘要
用分子轨道近似推导了 3d过渡金属离子在四面体晶体中轨道角动量和旋 轨耦合矩阵 ,同时得到了这些矩阵元与3d离子在纯晶体场近似下的矩阵之间的关系 .通过以上矩阵元和关系可以很容易地计算 3d离子在四面体晶体中的旋 轨、自旋 自旋和塞曼作用矩阵 .这些旋 轨、自旋 自旋和塞曼作用矩阵对研究 3d离子在四面体共价晶体中 (尤其是半导体中 )的超精细光谱、塞曼和交换分裂、电子顺磁共振参数、磁化强度、磁比热、磁化率等都是有用的 .另外 ,还讨论了八面体和四面体对称下的配体轨道 ,以及
The matrices of angular momentum and spin orbit coupling for 3d transition metal ions in tetrahetral symmetry are derived by an approximate molecular orbital approach. The relationships of these matrices with those for 3d ions within pure crystal field approximation are also obtained. From these matrices and relationships one can calculate easily the spin orbit, spin spin and Zeeman interaction matrices for 3d ions in tetrahetral symmetry. The matrices of the spin orbit, spin spin and Zeeman interactions are useful for dealing with the properties, such as fine structure spectra, Zeeman and exchange splittings, electron paramagnetic resonance parameters, magnetization, magnetic heat, magnetic susceptibility and so on for 3d ions in tetrahetral covalent crystals, especially, in semiconductors. In addition, the ligand orbitals for octahetral and tetrahetral symmetry and the overlap integrals between 3d ions and ligands are discussed.
出处
《四川师范大学学报（自然科学版）》
CAS
CSCD
2001年第2期160-165,共6页
Journal of Sichuan Normal University（Natural Science）
基金
四川省教委重点科研基金资助项目&&
