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

TL;DR

This study uses first-principles calculations to explore how biaxial strain affects the electronic properties and topological phases of group-V monolayers, revealing strain-induced phase transitions and potential for device applications.

Contribution

It provides a systematic analysis of strain effects on electronic structures and topological phases of group-V monolayers, highlighting their tunability for future technologies.

Findings

All monolayers become semimetallic under compression.

P, As, Sb monolayers undergo topological phase transition under tension.

Bi monolayer's topological insulator state remains stable.

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.