Prediction of a Large-Gap and Switchable Kane-Mele Quantum Spin Hall Insulator

Abstract

Fundamental research and technological applications of topological insulators are hindered by the rarity of materials exhibiting a robust topologically nontrivial phase, especially in two dimensions. Here, by means of extensive first-principles calculations, we propose a novel quantum spin Hall insulator with a sizable band gap of ∼0.5 eV that is a monolayer of jacutingaite, a naturally occurring layered mineral first discovered in 2008 in Brazil and recently synthesized. This system realizes the paradigmatic Kane-Mele model for quantum spin Hall insulators in a potentially exfoliable two-dimensional monolayer, with helical edge states that are robust and that can be manipulated exploiting a unique strong interplay between spin-orbit coupling, crystal-symmetry breaking, and dielectric response.