Influence of pressure and composition on electronic properties, phonon frequencies, and sound velocity for the zinc-blende GaAs1-xNx alloy

Abstract We investigated the electronic, phonon frequencies, and sound velocity of GaAs1 − xNx ternary semiconductor alloys with the zinc-blende crystal structure over the entire nitrogen concentration range (with x from 0 to 1) using the empirical pseudo-potential model within the virtual crystal approximation including the compositional disorder effect. The pressure-dependent electronic, phonon frequencies and sound velocity of GaAs1 − xNx ternary alloy have been studied. Our findings and the existing experimental data are found to be in good agreement. According to the dependence on pressure, a rising band gap is predicted for GaAs1 − xNx alloys at high-pressure values. According to the findings of this study, the GaAs1 − xNx characteristics could have substantial optoelectronic applications in the infrared and mid-infrared spectral ranges.