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CsNiCl3晶体的光谱精细结构、零场分裂参量及Jahn-Teller效应
引用本文:殷春浩,焦 杨,张 雷,宋 宁,茹瑞鹏,杨 柳.CsNiCl3晶体的光谱精细结构、零场分裂参量及Jahn-Teller效应[J].物理学报,2006,55(11):6047-6054.
作者姓名:殷春浩  焦 杨  张 雷  宋 宁  茹瑞鹏  杨 柳
作者单位:中国矿业大学理学院,徐州 221008
基金项目:国家教育部留学回国人员实验室建设科研基金(批准号:2003.18)和中国矿业大学优秀创新团队基金(批准号:2004ZCX012)资助的课题.
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. 关键词: 基态能级 精细结构 零场分裂 自旋-自旋耦合

关 键 词:基态能级  精细结构  零场分裂  自旋-自旋耦合
文章编号:1000-3290/2006/55(11)/6047-08
收稿时间:12 31 2005 12:00AM
修稿时间:2005-12-312006-08-11

Spectral hyper-fine structure and zero-field splitting parameters with Jahn-Teller effect of CsNiCl3 crystal
Yin Chun-Hao,Jiao Yang,Zhang Lei,Song Ning,Ru Rui-Peng and Yang Liu.Spectral hyper-fine structure and zero-field splitting parameters with Jahn-Teller effect of CsNiCl3 crystal[J].Acta Physica Sinica,2006,55(11):6047-6054.
Authors:Yin Chun-Hao  Jiao Yang  Zhang Lei  Song Ning  Ru Rui-Peng and Yang Liu
Institution:College of Science, China University of Mining and Technology, Xuzhou 221008, China
Abstract:The complete diagonalized Hamiitonian matrixes of 3d2/3d8 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 Ni2+ 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.
Keywords:ground-state energy levels  hyper-fine structure  zero-field splitting  spin-spin coupling
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