A new topological insulator - \beta-InTe strained in the layer plane

Abstract

We have investigated the band structure of the bulk crystal and the (001) surface of the \beta-InTe layered crystal subjected to biaxial stretching in the layer plane. The calculation has been carried out using the full-potential linearized augmented plane wave method (FP LAPW) implemented in WIEN2k. It has been shown that at the strain \Deltaa/a=0.06, where a is the lattice parameter in the layer plane, the band gap in the electronic spectrum collapses. With further strain increase a band inversion occurs. The inclusion of the spin-orbit interaction reopens the gap in the electronic spectrum of a bulk crystal, and our calculations show that the spectrum of the surface states has the form of a Dirac cone, typical for topological insulators.