Tunable topological quantum states in three- and two-dimensional materials

Abstract

We review our theoretical advances in tunable topological quantum states in three- and twodimensional materials with strong spin–orbital couplings. In three-dimensional systems, we propose a new tunable topological insulator, bismuth-based skutterudites in which topological insulating states can be induced by external strains. The orbitals involved in the topological band-inversion process are the d- and p-orbitals, unlike typical topological insulators such as Bi₂Se₃and BiTeI, where only the p-orbitals are involved in the band-inversion process. Owing to the presence of large d-electronic states, the electronic interaction in our proposed topological insulator is much stronger than that in other conventional topological insulators. In two-dimensional systems, we investigated 3d-transition-metal-doped silicene. Using both an analytical model and first-principles Wannier interpolation, we demonstrate that silicene decorated with certain 3d transition metals such as vanadium can sustain a stable quantum anomalous Hall effect. We also predict that the quantum valley Hall effect and electrically tunable topological states could be realized in certain transition-metal-doped silicenes where the energy band inversion occurs. These findings provide realistic materials in which topological states could be arbitrarily controlled.

Graphical abstract

Keywords

first-principles calculations / topological insulator / quantum anomalous Hall effect

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