ZnS:Co^(2+)晶体顺磁g因子的理论研究  

THEORETICAL INVESTIGATION OF g-FACTOR IN ZnS:Co^(2+)

作　　者：吴晓轩[1] 杜懋陆[2] 

机构地区：[1]四川轻化工学院物理教研室,自贡643033 [2]西南民族学院物理系,成都610041

出　　处：《波谱学杂志》1997年第4期357-362,共6页Chinese Journal of Magnetic Resonance

摘　　要：提出了一个计算二元半导体中过渡金属（TM）离子顺磁g因子的共价模型，并用以计算了ZnS：Co2+晶体的g因子，计算值与实验值吻合很好，从而解决了用经典方法得到的g因子值与实验值相比偏小的问题．同时，通过对ZnS:Co2+晶体晶场光谱和顺磁g因子的分析，本文建议，在ZnS：Co2+晶体中，Co2+离子的t2g电子和eg电子部分处于反键轨道部分处于成健轨道．This paper presents a covalent model to the calculation of the g factor in ZnS:Co2+ crystal, in whick the contribution due to the s. o. coupling of ligand ions is induded. The odculated results are in agreement with the experimental data, then, the problem that cakulated wiue of g factor is smaller than experhaental finding kas been solved. In the meanthoe, we bo analyzed tke spectra and the g factor of ZnS:Co2+, the analysis suggests that some of the d electrons of tran8ition metal (TM) ion in ZnS:Co2+ are located at anti bonding orbital and the otkers at bonding orbital.

关 键 词：晶体场 电子顺磁共振 G因子 二元 半导体 

分 类 号：O471.4[理学—半导体物理]