GaAs-δ layered within nitrogen for high efficiency photovoltaic devices: First principle prediction

Intense solar radiation and arid region in Algeria should be a promising issue to upgrade eco-friendly energy source alternative and promote climate change lute. For this purpose, we propose first principle investigation of the structural and the electronic bulk properties of the promising GaAsN alloy in delta-layer configuration within the aid of density functional theory framework. The simulation has been done to estimate the adequacy of this quantum design for optoelectronic and high efficiency photovoltaic applications. We particularly predict the evolution of the δ-layered Ga_nAs_1-nN₁ lattice constant for x=1/n in the range of 0<;x≤1. Our approach exhibits excellent concordance in structural properties and electronic structure within the experimental data for the parent binaries GaAs and GaN. The calculations show that GaAsN should be lattice matched to panoply of solicited semi-conductors for photovoltaic technologies such as GaAs, GaAlAs, Ge and Si. Moreover, the electronic structure and the band gap calculation of the chosen concentration x=1/10 predict that delta-layer design of GaAsN could be an interesting issue for telecommunication devices dedicated to transmission over optical fiber and it should be good absorber material for high efficiency solar cells power conversion by joining a band gap energies suitable with the most intense solar spectrum.