Topologically nontrivial narrow bands in ultrathin SnTe films with defect superstructures

It is shown that a two-dimensional topological insulator can be realized and the band topology (equivalently, the edge states) may be further controlled by charge doping in an ultrathin SnTe film with a defect superstructure. Based on first-principles density functional theory (DFT), we predict that a Sn-Te bilayer, if exfoliated from three-dimensional bulk SnTe in the (1 1 1) direction, has a trivial band topology in its pristine form, but is made topologically nontrivial by introducing an appropriate array of defects. The emergence of the topological state is ascribed to the formation of topologically nontrivial narrow bands near the Fermi level by spin–orbit splitting of defect-induced bands. In addition, we demonstrate that a transition between a topological insulator and a normal insulator is possible under the electron or hole doping which can be useful for controlling the topological edge states.