单层
带隙
直接和间接带隙
硒化物
材料科学
半导体
光电子学
铟
宽禁带半导体
电子能带结构
静水压力
半金属
纳米技术
凝聚态物理
密度泛函理论
硫系化合物
拓扑绝缘体
电子结构
物理
冶金
硒
作者
Heqi Xiong,Ruiping Li,Yingchun Cheng,Guichuan Xing,Wei Huang
摘要
The layered mono-chalcogenide semiconductors MX (M = In, Ga; X = Se, S) have attracted considerable attention due to their high carrier mobility and tunable bandgap, which gives them potential applications in the development of new optoelectronic devices. We have systematically studied the effect of pressure on the band structure evolution and electronic properties of monolayer indium selenide (InSe) using first-principles calculations. The bandgap of monolayer InSe first increases and then decreases with increasing pressure. In addition, monolayer InSe undergoes an indirect to direct bandgap transition at 6.8 GPa. Increasing the pressure further to 10.4 GPa leads to recovery of the indirect bandgap. This indirect-direct bandgap transition is absent in other monolayer MX compounds. The continuous tuning of band structure of monolayer InSe gives them potential applications for pressure-response optoelectronic devices.
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