Effects of biaxial strain on the electronic structures and band topologies of group-V elemental monolayers

Abstract

Using first-principles calculations, we systematically investigate the electronic structures and band topologies of four kinds of group-V elemental (P, As, Sb and Bi) monolayers with buckled honeycomb structure. It is found that all these monolayers can change from semiconducting to semimetallic under compressive strain. If a tensile strain is however applied, the P, As and Sb monolayers undergo phase transition from topologically trivial to non-trivial regime, whereas the topological insulating nature of Bi monolayer remains unchanged. With tunability of the band gaps and band topologies, it can be expected that these elemental monolayers could be promising candidates for future optoelectronic and spintronic applications.