Tunable electronic properties and band alignments of InS–arsenene heterostructures via external strain and electric field.

van der Waals heterostructures (vdWHs) based on two-dimensional (2D) materials have been extensively recognized as promising candidates for fabricating multi-functional novel devices. In this work, we investigated the structural and electronic properties of the InS–arsenene vdWH in some detail by using the first principles calculation method to explore its potential application in nanoelectronics. Numerical results show that the InS–arsenene vdWH possesses a stable structure, excellent flexibility, high carrier mobility and direct band gap semiconducting behavior. In particular, its electronic properties can be regulated effectively by vertical strain, in-plane strain and an external electric field. Vertical strain can tune the band gap of the semiconducting vdWH in a wide range with stable type-II band alignment. However, in-plane strain and an external electric field can even realize phase transitions from semiconducting to metallic behaviors, which implies great application potential of the InS–arsenene vdWH in multi-purpose nanoelectronic devices, optoelectronic devices and tunnel field-effect transistors (TFETs). This theoretical work would provide valuable guidance for fabricating the InS–arsenene vdWH and extending the application of InS and arsenene monolayers. [ABSTRACT FROM AUTHOR]