Quantum anomalous Hall effects and various topological mechanisms in functionalized Sn monolayers

Abstract

The topological behaviors of Sn monolayers partly passivated with H atoms are explored based on first-principles calculations. Obvious magnetism can be induced in the Sn monolayer due to the passivation. And the magnetism strength is found to be determined by the number difference of the H atoms bonding to the two sublattices of stanene. Quantum anomalous Hall (QAH) effects are found appearing easily in the systems with one of the sublattices fully passivated and the other not. The origin of the topological states can be ascribed to the coupling of the magnetism, the lattice symmetry (C3v), and the H-atom concentrations, which forms various mechanisms of the topological states. Particularly, band inversions are found playing completely different roles in forming the QAH effects for the different functionalized Sn monolayers.