摘要
掺V^(3+)离子的ZnS晶体局部结构与光谱和顺磁共振(EPR)参量有关联。根据Sugano-Tanabe方案建立了d^(2/8)电子强场45×45阶完全能量矩阵,由自旋哈密顿理论推导了EPR参量的计算公式,通过点荷-偶极子模型得到了离子簇局部T_d对称结构与晶场参量的关系,基于半自洽场d轨道和完全对角化方法,从局部结构统一解释了ZnS:V^(3+)的光谱和顺磁g因子,计算结果与实验符合。计算结果表明,ZnS:V^(3+)的光谱和EPR谱可以在晶体场理论框架内得到理解。
The optical and electron paramagnetic resonance （EPR） parameters of ZnS：V^3＋ crystal are correlated with the local structure of the ionic cluster. According to Sugano-Tanabe＇s scheme, complete energy matrix （45×45） of d^2/8 electron system is constructed. EPR parameter formulae are deduced from spin Hamiltonian theory. Meanwhile, the relationship between crystal parameter and the local structure of ionic cluster in Td symmetry is obtained via point-dipolar model. Based on the semi-self-consitent-field （semi-SCF） d-orbital model and the complete energy matrix diagonalization procedure （CDP）, the optical spectra and g factor of ZnS：V^3＋ are uniformly explained from the local structure. The calculated results agree well with the experimental findings. Calculated results show that, the optical and EPR spectra of ZnS：V^3＋ can be well understood in the framework of crystal field theory.
出处
《量子电子学报》
CAS
CSCD
北大核心
2008年第4期393-396,共4页
Chinese Journal of Quantum Electronics
基金
四川省教育厅科研基金青年项目(2006B036)资助课题
