Quantum spin Hall states in MX2 (M = Ru, Os; X = As, Sb) monolayers

Abstract

The quantum spin Hall (QSH) effect has attracted extensive research interest due to its great promise in topological quantum computing and novel low-energy electronic devices. Here, using first-principles calculations, we find that MX₂ (M = Ru and Os; X = As and Sb) monolayers are 2D topological insulators (TIs). The spin–orbit coupling (SOC) band gaps for RuAs₂, RuSb₂, OsAs₂, and OsSb₂ monolayers are predicted to be 80, 131, 118, and 221 meV, respectively. Additionally, the nontrivial topological states are further confirmed by calculating the topological invariant and the appearance of gapless edge states. More interestingly, for RuSb₂ and OsSb₂ monolayers, the position of node points in energy can be effectively tuned by applying in-plane strain. Our results consistently indicate that all MX₂ monolayers can serve as an effective platform for achieving the room-temperature QSH effect.