Theoretical study of the gap evolution of In2X3 (X=O, S, Se, Te) with lattice compression

Abstract We report a systematic study of the electronic structure of In2X3 (X=O, S, Se, Te) semi-conductors using the ab initio tight-binding linear muffin-tin orbital (TB-LMTO) method. Taking into account the experimental structure of each compound we have determined the gap evolution under lattice compression in the whole series. We have found that the compression of the lattice produces an enhancement of the energy gap. This could be driven in some cases by doping with shallow impurities.