摘要
讨论了晶体中过渡金属离子零场分裂产生的各种微观机制 ,并给出了多个实例 .结果表明 ,过去工作通常忽略的自旋 自旋相互作用机制 ,以及自旋 轨道与自旋 自旋联合作用机制 ,在一些特殊情况下是不可忽略的 .计算还表明
On the basis of the effective Hamiltonian theory presented in Part I(J. Sichuan Normal Univ.,2002,25(6):606～614), an investigation is made part for the individual contributions to the zero field splitting parameters from the spin orbit (SO) and the spin spin (SS) couplings, respectively, and from the combined effect of these two interactions; these are accordingly called SO, SS, and SO SS mechanisms, respectively. Illustrative evaluations are then carried out for Mn 2+ ( 6S,3d 5) ions in cubic fields, a Cr 3+ ( 4F,3d 3) ion at the C 3 symmetry Nb site in LiNbO 3 crystals, and a Fe 2+ ( 5D,3d 6) ion in a trigonal field. As a general consequence, the SS and the SO SS mechanisms, which are often omitted in early works, are found non negligible in comparison with the dominant SO mechanism. The calculated results also show the importance of high-lying states.
出处
《四川师范大学学报（自然科学版）》
CAS
CSCD
2003年第6期592-597,共6页
Journal of Sichuan Normal University（Natural Science）
基金
四川省教育厅重点科研基金资助项目
关键词
过渡金属离子
零场分裂
自旋哈密顿
Transition-metal ions
Zero-field splitting
Spin-Hamiltonian
