Wse2/Bp Heterostructure with Tunable Electronic Properties Via External Electric Field and Biaxial Strain

Through first-principles calculations, we investigate in detail the electron-optical properties of the 2D WSe 2 /BP van der Waals (vdW) heterostructures by applying electric field and biaxial strain. The results show that 0.77eV bandgap and Type-II band alignment are formed at the WSe 2 /BP vdW heterogeneous double-layer interface, which is conducive to the effective separation of photogenerated electrons and holes. Furthermore, the WSe 2 /BP heterostructure shows a wide absorption spectrum in the visible region. The WSe 2 /BP heterostructure change from Type-II to Type-I band alignment and then to Type-II band alignment under different electric fields. The transformation of semiconductors to metal can also be observed under stronger electric fields. In addition, the bandgap is effectively adjusted by the biaxial strain . Therefore, these properties make the WSe 2 /BP heterostructure promising for future optical detection