Quantum spin hall insulators in strain-modified arsenene

摘要

By means of density functional theory (DFT) computations, we predict that the suitable strain modulation of honeycomb arsenene results in a unique two-dimensional (2D) topological insulator (TI) with a sizable bulk gap (up to 696 meV), which could be characterized and utilized at room temperature. Without considering any spin-orbit coupling, the band inversion occurs around the Gamma (G) point at tensile strains larger than 11.7%, which indicates the quantum spin Hall effect in arsenene at appropriate strains. The nontrivial topological phase was further confirmed by the topological invariant nu = 1 and edge states with a single Dirac-type crossing at the G point. Our results provide a promising strategy for designing 2D TIs with large bulk gaps from commonly used materials.