摘要
应用V3+的Watson自洽场d 轨函计算出了Racah静电参量A0、B0、C0和用完全对角化方法计算了ZnS:V3+的光谱和基态g因子,并比较了Racah静电参量A0对光谱能级的贡献.计算结果与实验结果符合得较好.此外,还讨论了共价因子对能级的影响.
Using the Racah parameters calculated by the Watson selfconsistentfield (SCF) dorbit of V3+ free ion and covalency parameters of Nt and Ne, we have calculated the optical spectra and ground state paramagnetic gfactor of ZnS:V3+. The results agree well with the experimental data. In addition, the contributions of the Racah parameter A0 and the difference of NtNe to the optical energies are discussed.
出处
《四川师范大学学报(自然科学版)》
CAS
CSCD
2003年第6期605-608,共4页
Journal of Sichuan Normal University(Natural Science)
关键词
配位场
光学和顺磁性质
Ⅱ-Ⅵ族半磁半导体
Ligand field
Optical and paramagnetic characteristics
Ⅱ-Ⅵ semimagnetic semiconductor.