典型文献
Regulation of electronic structure of monolayer MoS2 by pressure
文献摘要：
Understanding pressure-regulated electronic properties is crucial for integrating two-dimensional semiconductors into flexible electronic devices and pres-sure sensors.We thoroughly explored the tunability of the electronic structure of monolayer MoS2 upon the applica-tion of perpendicular pressure and shear stress by using first-principles calculations.The band gap increased at low pressures and then decreased as the pressure increased.Variations in the band gap are caused by the combined interaction of the increasing and decreasing trends in the band gap.The increase in the band gap is induced by the enhancement of the p-d orbital interaction at the top of the valence band(TVB).The delocalization of charge and unstable hybridization bonding causes a reduction in the band gap.The band gap under perpendicular pressure modes is closely related to the structural variation.Shear stress can effectively reduce the band gap with minimal change to the crystal structure.The maximum point at the TVB and the minimum point at the bottom of the con-duction band are different for all pressure modes,resulting in various anisotropic properties.This study provides a theoretical basis for modulating the electrical and optical properties of monolayer MoS2.
文献关键词：
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作者姓名：
Qiao-Lu Lin;Zheng-Fang Qian;Xiang-Yu Dai;Yi-Ling Sun;Ren-Heng Wang
作者机构：
Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province,College of Physics and Optoelectronic Engineering,Shenzhen University,Shenzhen 518060,China
文献出处：
引用格式：
[1]Qiao-Lu Lin;Zheng-Fang Qian;Xiang-Yu Dai;Yi-Ling Sun;Ren-Heng Wang-.Regulation of electronic structure of monolayer MoS2 by pressure)[J].稀有金属（英文版）,2022(05):1761-1770
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0.535184
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