V^(2+)在ZnS中光谱的理论计算  

Theoretical Calculations of Absorption Spectra for V^(2+) Ions in ZnS

作　　者：马晓红[1] 周一阳[1] 

机构地区：[1]四川师范大学固体物理研究所,四川成都610066

出　　处：《四川师范大学学报（自然科学版）》2008年第2期211-214,共4页Journal of Sichuan Normal University（Natural Science）

基　　金：四川省教育厅自然科学重点基金(2005A089)资助项目

摘　　要：用分子轨道理论推导了3d3离子在立方晶体场中的哈密顿矩阵,并计算了V2+在ZnS中的吸收光谱.与其他近似方法相比较,该计算结果与实验符合得好,表明V2+在ZnS中,共价因素和Racah参量A的贡献是很大的.理论计算出的一条近红外谱线有待实验的进一步检验.In this paper the Hamihonian matrices for 3d^3 ions in cubic crystal field are derived based on a molecular-orbital model, and the absorption spectra of V^2＋ ions ZnS are calculated. The good agreement between the present results and the experimental obser- vations indicates that the contribution from the covalency factors and the Racab parameter A to the absorption spectra of V^2＋ ions in ZnS is important. In addition, a theoretical near-infrared line presented is in need of further test of experimental studies.

关 键 词：半磁半导体 吸收光谱 V^2+离子 ZNS 

分 类 号：O433.5[机械工程—光学工程] O482.3[理学—光学]