Tuning the electronic and optical properties of XP(X = Al,Ga) monolayer semiconductors using biaxial strain effect: Modified Becke-Johnson calculations

Abstract

In this paper, based on full potential density functional theory calculations, the electronic and optical properties of aluminium and gallium phosphide (AlP and GaP) graphene-like structures are investigated under different biaxial compressive and tensile strain loads. One of the fascinating properties of these new monolayers is their high stretch-ability and high mechanosensitivity of their electronic and optical features. The electronic calculations display that the energy gap of materials versus the exerted strain can be estimated by a second order polynomial equation. Furthermore, the optical calculations indicate that the electronic and optical gap of AlP and GaP monolayers can be tuned by biaxial strain loads.