轴对称晶场中d^3离子激发态对~4A_2基态自旋哈密顿参量的影响  

Effects of excited states for d^3 ions on spin-Hamiltonian parameters of the ground state ~4A_2 in axial-symmetrical crystal field

作　　者：魏群[1] 杨子元[2] 王参军[2] 许启明[1] 

机构地区：[1]西安建筑科技大学材料科学与工程学院,西安710055 [2]宝鸡文理学院物理系非线性研究所,宝鸡721007

出　　处：《物理学报》2007年第1期507-511,共5页Acta Physica Sinica

基　　金：陕西省教育厅科学计划项目(批准号:05JK139);宝鸡文理学院重点科研基金(批准号:ZK2505;ZK2549)资助的课题~~

摘　　要：采用完全对角化方法,讨论了三角对称和四角对称下d3离子自旋二重态和自旋四重态对基态4A2(4F)自旋哈密顿(SH)参量(包括零场分裂(ZFS)和g因子)的影响机理.并对影响基态SH参量的四种机理(SO机理,SS机理,SOO机理和SO-SS-SOO联合机理)进行了分析.结果表明,自旋二重态与四重态对d3离子基态零场分裂都具有重要贡献;而基态g因子主要由四重态决定,二重态对g因子贡献很小.此外,发现SS机理和SOO机理对基态EPR参量的贡献主要由四重态决定,二重态的影响很小.The mechanism of influence of the spin quartets and doublets Of d^3 ion on the spin-Hamihonian （SH） parameters（including zero-field splitting（ZFS） and g-factors）of the ground state ^4A2 （^4F） is discussed in terms of complete diagonalization method （CDM） under trigonal symmetry and tetragonal symmetry. And these microcosmic mechanisms, including SO mechanism, SS mechanism, SOO mechanism, SO-SS-SOO combined mechanism have been analyzed. It is found that （1） the contributions to ZFS parameter from the spin quartets and doublets are all important; （2） the contributions to the g-factors of the ground state from the spin quartets are predominant, whereas the contributions from spin doublets are slight. In addition, it is shown that SS mechanism and SOO mechanism are determined by spin quartets in SH parameters calculation.

关 键 词：自旋哈密顿参量 完全对角化方法 自旋二重态 激发态 

分 类 号：O482[理学—固体物理]