Electronic and optical properties of α-InX (X = S, Se and Te) monolayer: Under strain conditions

Using ab initio study, the structural, electronic and optical properties of alpha-InX (X = S, Se and Te) are investigated under tensile and compressive strain conditions. The results illustrate that exerting biaxial tensile and compressive strain conditions can lead to a tunable energy gap with a linear trend. The shape of valence band maximum (VBM) and conduction band minimum (CBM) is so sensitive to applying tensile and compressive strain. Besides, a shift in optical spectra toward shorter wavelength (blue shift) occurs under compression. The exerting tensile strain, on the other hand, gives rise to a red shift in optical spectra correspondingly. The results have been presented that InX monolayers can be good candidates for optoelectronic applications as well. (C) 2017 Elsevier B.V. All rights reserved.