| Popis: |
Van der Waals (vdW) heterostructures have attracted significant attention because of their widespread applications in nanoscale devices. In the present work, we investigate the electronic structures of germanane/antimonene vdW heterostructure in response to normal strain and an external electric field by using the first-principles calculations based on density functional theory (DFT). The results demonstrate that the germanane/antimonene vdW heterostructure behaves as a metal in a [−1, −0.6] V/Å range, while it is a direct semiconductor in a [−0.5, 0.2] V/Å range, and it is an indirect semiconductor in a [0.3, 1.0] V/Å range. Interestingly, the band alignment of germanane/antimonene vdW heterostructure appears as type-II feature both in a [−0.5, 0.1] range and in a [0.3, 1] V/Å range, while it shows the type-I character at 0.2 V/Å. In addition, we find that the germanane/antimonene vdW heterostructure is an indirect semiconductor both in an in-plane biaxial strain range of [−5%, −3%] and in an in-plane biaxial strain range of [3%, 5%], while it exhibits a direct semiconductor character in an in-plane biaxial strain range of [−2%, 2%]. Furthermore, the band alignment of the germanane/antimonene vdW heterostructure changes from type-II to type-I at an in-plane biaxial strain of –3%. The adjustable electronic structure of this germanane/antimonene vdW heterostructure will pave the way for developing the nanoscale devices. |
