赝势
半导体
材料科学
价(化学)
凝聚态物理
半金属
带隙
价带
谱线
钻石
电子结构
电子能带结构
直接和间接带隙
原子物理学
物理
光电子学
量子力学
复合材料
作者
James R. Chelikowsky,Marvin L. Cohen
出处
期刊:Physical review
[American Physical Society]
日期:1976-07-15
卷期号:14 (2): 556-582
被引量:1998
标识
DOI:10.1103/physrevb.14.556
摘要
An empirical nonlocal pseudopotential scheme is employed to calculate the electronic structure of eleven semiconductors: Si, Ge, $\ensuremath{\alpha}\ensuremath{-}\mathrm{Sn}$, GaP, GaAs, GaSb, InP, InAs, InSb, ZnSe, and CdTe. Band structures, reflectivity spectra, electronic densities of states, and valence charge densities are presented and compared to experimental results. Improved optical gaps, optical critical-point topologies, valence-band widths, and valence charge distributions are obtained as compared to previous local pseudopotential results.
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