First-principles investigation on the electronic properties of bulk-, ML-, and BL-InSe

A layered two-dimensional semiconductor, indium selenide (InSe), has gained popularity due to its thickness-dependent electronic properties and potential applications in nanoelectronics and optoelectronics. In this study, we conduct a first-principles investigation on bulk-, monolayer (ML-), and bilayer (BL-) InSe. Band structures and density of states were calculated for the different layer configurations. In all cases, InSe exhibited semiconducting characteristics. Among the three structures, ML-InSe has the largest band gap, followed by BL-InSe and bulk-InSe.