Electronic properties of dilute-As InGaNAs alloys: A first-principles study

Abstract

The dilute-As InyGa1 − yN1 − xAsx alloys are explored by performing first-principles density functional theory (DFT) calculations, where the In-content is varied from 0% up to 18.75% and the As-content is varied from 0% up to 3.13%. The obtained band structures indicate a direct bandgap semiconductor, whose electronic properties are modified significantly by the addition of As-atoms into the InGaN-based system. The lattice parameters (a and c) are analyzed, and the bowing parameters of the dilute-As InGaNAs are analyzed and discussed. The electronic properties indicate the dilute-As InyGa1 − yN1 − xAsx alloys as a potential new material alternative for achieving longer wavelength emission, while utilizing a low In-content (<20%).