赝势
碲化镉光电
带隙
半导体
凝聚态物理
电介质
材料科学
折射率
密度泛函理论
电子能带结构
态密度
锌
衰减系数
介电函数
直接和间接带隙
平面波
光学
光电子学
化学
计算化学
物理
冶金
出处
期刊:Journal of the Graduate School of the Chinese Academy of Sciences
日期:2009-01-01
摘要
Band structure,density of states,and optical properties of Zinc blende CdTe have been investigated using the plane-wave ultrasoft pseudopotential technique based on density functional theory(DFT).The calculated results show that Zinc blende CdTe is direct semiconductor with the band gap of 0.671eV.The complex refractivity index,complex dielectric function,absorption coefficient,complex conductivity function,energy-loss function,and optical reflectivity have been calculated and analyzed.The results show that the refractivity index is 2.69 and the static dielectric constant is 7.23.The results are in agreement with the previous work and offer a theoretical basis for the application of Zinc blende CdTe.
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