波谱学杂志 ›› 2006, Vol. 23 ›› Issue (4): 503-508.

• 研究论文 • 上一篇    下一篇

四角对称晶场中3d3 离子零场分裂理论研究

魏群; 杨子元   

  1. (宝鸡文理学院 物理系,陕西 宝鸡 721007)
  • 收稿日期:2006-02-14 修回日期:2006-05-29 出版日期:2006-12-05 发布日期:2009-12-05
  • 通讯作者: 魏群

Theoretical Investigations on Zero-Field Splitting of 3d3 Ions in Tetragonal Symmetry Crystal Field

WEI Qun; YANG Zi-yuan   

  1. (Department of Physics, Baoji University of Arts and Science, Baoji 721007, Shanxi, China)
  • Received:2006-02-14 Revised:2006-05-29 Online:2006-12-05 Published:2009-12-05
  • Contact: Wei Qun

摘要: 分别采用完全对角化方法和微扰方法讨论了微小磁相互作用对四角对称下基态4B1态和第一激发态2E 态零场分裂的影响. 结果表明,4B1态零场分裂与微小磁相互作用参量成线性关系,2E 态零场分裂主要由二重态决定,磁相互作用和四角晶场对2E 态零场分裂的贡献相比较,四角晶场的作用是主要的.

关键词: 微小磁相互作用, 对角化, 零场分裂, 微扰公式

Abstract: Taking slight magnetic interactions (including spin-spin interaction, spin-otherorbit interaction and orbit-orbit interaction) into account and by using complete diagonalization method and perturbation theoretical method, zero-field splitting (ZFS) of 4B1 and 2E states for 3d3 ions was studied in tetragonal symmetry crystal field. The result show that ZFS of the 4B1 state is linear to the slight magnetic interaction parameters, and ZFS of 2E state mainly depends on spin doublets.

Key words: slight magnetic interactions, diagonalization, zero-field splitting, perturbation formula

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