Vertical heterostructures based monolayers of dielectric and semiconductor graphene-like 2D materials: atomic structure, energy stability and electronic properties

摘要

In this paper, new structural types of vertical heterostructures based on monolayers of semiconductor and dielectric 2D graphene-like materials are proposed. Using computer modeling methods, it is found that monolayers of borophane, blue phosphorus and gallium nitride can be used to form bilayer and three-layer vertical heterostructures of the following type: gallium nitride/borophane and gallium nitride/blue phosphorus bilayer structures, as well as gallium nitride/blue phosphorus/gallium nitride three-layer structures. It is shown that the constructed atomistic models of vertical heterostructures are energetically stable configurations. It was revealed that the proposed types of vertical heterostructures are characterized by the presence of an energy gap from 0.5 to 1.3 eV in size, which indicates their semiconductor properties.