Quantum Spin-Quantum Anomalous Hall Insulators and Topological Transitions in Functionalized Sb(111) Monolayers

Abstract

Electronic and topological behaviors of Sb(111) monolayers decorated with H and certain magnetic atoms are investigated by using ab initio methods. The drastic exchange field induced by the magnetic atoms, together with strong spin-orbit coupling (SOC) of Sb atoms, generates one new category of valley polarized topological insulators, called quantum spin-quantum anomalous Hall (QSQAH) insulators in the monolayer, with a band gap up to 53 meV. The strong SOC is closely related to Sb px and py orbitals, instead of pz orbitals in usual two-dimensional (2D) materials. Topological transitions from quantum anomalous Hall states to QSQAH states and then to time-reversal-symmetry-broken quantum spin Hall states are achieved by tuning the SOC strength. The behind mechanism is revealed. Our work is helpful for future valleytronic and spintronic applications in 2D materials.