四川师范大学学报（自然科学版）2003，Vol.26Issue(6)：592-597,6.
晶体中过渡金属离子零场分裂参量的微观解释II:微观机制与实例
Microscopic Interpretation of the Zero-field Splitting Parameters of Transition-metal Ions in Crystals II:Mechanisms and Illustrations
摘要
Abstract
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 Mn2+(6S,3d5) ions in cubic fields, a Cr3+(4F,3d3) ion at the C3 symmetry Nb-site in LiNbO3 crystals, and a Fe2+(5D,3d6) 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.关键词
过渡金属离子/零场分裂/自旋哈密顿Key words
Transition-metal ions/Zero-field splitting/Spin-Hamiltonian分类
数理科学引用本文复制引用
余万伦..晶体中过渡金属离子零场分裂参量的微观解释II:微观机制与实例[J].四川师范大学学报（自然科学版）,2003,26(6):592-597,6.基金项目
四川省教育厅重点科研基金资助项目 （）
