ZnSe:Co^(2+)中四面体络离子(CoSe_4)^(6-)的g因子

g-factor for Clusters (CoSe_4)^(6-) in ZnSe:Co^(2+)

用双自旋 轨道耦合参数模型和半经验的分子轨道法研究了四面体Td 对称晶场中络离子(CoSe4 ) 6-的EPRg因子 .结果较从前的计算更接近实验数据 ,并表明配体Se对Co2 + 的g因子有不可忽略的贡献 .

In this paper, the EPR g-factor for Co 2+ions in Ⅲ～Ⅵ semimagnetic semiconductor ZnSe is stutied by means of a double spin-orbit (SO) coupling parametric model and a semiempirical molecular-orbit method. The calculated result shows that the contribution from the ligand Se to the EPR g-factor can not be neglected because the ligand Se possesses large SO coupling constant and the (CoSe 4) 6- groups have strong covalence.