单层
各向异性
材料科学
凝聚态物理
半导体
带隙
拉伤
刚度
电子结构
结晶学
光电子学
光学
化学
复合材料
纳米技术
物理
医学
内科学
作者
Le Huang,Fu‐Gen Wu,Jingbo Li
摘要
Using first-principles calculations, the structural and electronic properties of group-IV monochalcogenide monolayers are investigated. It is demonstrated that all the monolayers employed here possess moderate indirect bandgaps. In-plane elastic stiffness calculation demonstrates the structural anisotropy in these materials, further resulting in anisotropic response to in-plane strains in their electronic properties and anisotropic optical properties. The bandgaps of GeX and SnX monolayers can be linearly reduced by applied in-plane compressive strains and the semiconductor-to-metal transition can be realized under large compressive strains; while tensile strains exert less influence on the electronic properties in comparison to compressive strains. Some monolayers will experience indirect-to-direct bandgap transition when subjected to proper strains. A further insight into the variation of bandgaps of these monolayers can be obtained from the changing band edges.
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