Strain effect on electronic structure of two-dimensional γ-InSe nanosheets

Abstract

We use density functional theory to calculate the electronic structure of monolayer and bilayer InSe nanosheets. The interlayer interaction is found to have a large effect on the s orbital distribution of In and Se atoms. The electronic properties of InSe change substantially under in-plane bi-axial strain, including the semiconductor-to-metal transition. Both van der Waals forces and the electron wave function overlap affect the electronic structure tunability in a delicate way. Aside from the band-nature change, the electron-transport ability is expected to be altered, which is important for InSe-based electronic devices.