Electronic and Optical Properties of Heterostructures based on Indium Chalcogenides

Abstract

The models of the heterostructures based on the β-InSe, In4Se3 and In4Te3 crystals were proposed and the first-principles study of their electronic and optical properties were presented. The band spectra, the spatial distributions of the electron density and the absorption coefficients for different polarizations along crystal axes for the heterostructures of the (In4Se3)m/(In4Te3)m and β-InSe/In4Se3 type were calculated. The evolution of the changes in both energy spectrum and optical functions of the heterostructures in comparison with the bulk crystals has been analyzed. Our calculations point out the heterostructures stability and good agreement with the experimental investigations of the photosensitivity in the near and middle infrared region.