摘要
采用半自洽场3d轨道模型、点电荷模型和平均共价因子模型,计算了NH4ZnPO4:Mn2+晶体中Mn2+电子顺磁共振的g因子和零场分裂参量D、E.计算结果显示D、E的理论值和实验值(D=176×10-4cm-1、E=58×10-4cm-1)符合得很好,并分析指出了g因子的反常.
According to Semi-SCF 3d-Orbit Model, the Point-Charge Model and the average covalent factor Model, the g-factor and the zero-field splitting D and E are calculated. The calculated results of ZFS parameters D,E are in good agreement with the experimental results (experimental values D=176×10^-4cm^-1、E=58×10^-4cm^-1) and finger out g-factor is an exception.
出处
《西南民族大学学报(自然科学版)》
CAS
2010年第1期135-138,共4页
Journal of Southwest Minzu University(Natural Science Edition)
基金
国家民委科研项目(09XN09)