First Principle Investigation of Structural, Electronic and Optical Properties of Quaternary B_xIn_yGa_1-x-yN Compounds

We report on our results obtained on the physical properties of BxInyGa1-x-yN quaternary alloys in the zinc-blende phase that are thoroughly considered by the linearized augmented plane wave method, with a full potential within density functional theory, for different concentrations x and y as employed in the Wien2k code. We calculated the structural properties, including lattice constant a0 and the bulk modulus B. We computed as well the band structures, the dielectric constant and the refractive index of our quaternary alloys compounds. Finally, nonlinear dependence on the compositions x and y are investigated in-depth and still expecting for experimental confirmations. To the best of our knowledge, this is the first theoretical investigation of BxInyGa1-x-yN alloy conducted to date.