Electric-field-modulated topological phase transition in AlSb/InSe heterobilayers

Abstract: Searching for controllable topological phase by means of external stimuli in two-dimensional (2D) material-based van der Waals (vdW) heterostructures is currently an active field for both the underlying physics and practical applications. Here, using first-principles calculations, we investigate electric-field-modulated topological phase transition in a vdW heterobilayer formed by vertically stacking 2D AlSb and InSe monolayers. The AlSb/InSe heterobilayer studied possesses both dynamical and thermal stabilities, which is a direct bandgap semiconductor and forms a Z-scheme heterojunction. With inclusion of spin-orbit coupling (SOC) and applying external electric field, the bandgap decreases at first and then increase, and a trivial insulator to topological insulator phase transition is observed. For the topological insulator phase, band inversion is ascribed to the strong SOC of p orbitals of Sb. Our work paves the way for the design and application of multifunctional nanoscale devices such as topological field effect transistor.