Band structures of graphene, black phosphorus, and MoS2 ribbons under stress: a comparison study

Abstract

The application of electronic devices becomes increasingly extensive and their performance optimization receives broad attention. Electronic devices constructed from two-dimensional materials have revealed broad prospects. However, the performance of two-dimensional electronic materials in the presence of stress has rarely been researched, which will restrict their application in an environment with intense deformation or temperature variation. Here, we adopt a first-principle method to investigate three kinds of ribbons: graphene, black phosphorus, and MoS2. We find that the bandgap of graphene and MoS2 ribbons increase with the rise of stress, while the bandgap of black phosphorus reduces when subject to both positive and negative stress. The abnormal trend of black phosphorus is owing to the indirect bandgap properties under negative stress, which becomes direct bandgap under positive stress. The present research has instructive meaning for the application of two-dimensional material on electronic devices under stressed conditions.