硅
直接和间接带隙
带隙
材料科学
半导体
声子
各向异性
凝聚态物理
电子能带结构
半金属
光电子学
物理
光学
作者
Xianfeng Yang,Qun Wei,Meiguang Zhang,Meilong Hu,Linqian Li,Xuanmin Zhu
标识
DOI:10.1088/1674-1056/ac11db
摘要
Silicon is a preferred material in solar cells, and most of silicon allotropes have an indirect band gap. Therefore, it is important to find new direct band gap silicon. In the present work, a new direct band gap silicon allotrope of o -Si32 is discovered. The elastic constants, elastic anisotropy, phonon spectra, and electronic structure of o -Si32 are obtained using first-principles calculations. The results show that o -Si32 is mechanically and dynamically stable and is a direct semiconductor material with a band gap of 1.261 eV.
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