Effects of Nitrogen and Bismuth on GaAs Semiconductor

We have performed the first-principles method to investigate the structural and electronic properties of GaAs1-xNx and GaAs1-xBix ternary semiconductor alloy to determine the effect of Nitrogen (N) and Bismuth (Bi) on GaAs semiconductor. Within the Generalized Gradient Approximations and Local Density Approximations, we used Density Functional Theory and the pseudopotential approach. For GaAsN and GaAsBi alloys, the Zinc-Blende phase has been found to be stable. The effects of Bismuth content in GaAsBi alloys and Nitrogen concentration in GaAsN alloys on bending parameters are investigated in this work. The bandgap energies for all x concentrations (0 < x < 1) and the lattice constant of both alloys were calculated using the bending parameter of GaAsBi and GaAsN alloys, which are important for a wide range of device applications. Theoretical and experimental works for the researched materials are compared to lattice characteristics and band gap energies.