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

• Published in: Journal of computational electronics 2022-10, Vol.21 (5), p.1079-1087
• Main Authors: Al Maaitah, Ibtisam F., Elkenany, Elkenany B.
• Format: Article
• Language: English
• Subjects: Acoustic velocity; Alloys; Approximation; Crystal structure; Electrical Engineering; Energy; Engineering; Infrared spectra; Investigations; Mathematical and Computational Engineering; Mathematical and Computational Physics; Mechanical Engineering; Mechanical properties; Nitrogen; Optical and Electronic Materials; Optoelectronics; Phase transitions; Phonons; Pressure dependence; Pressure effects; Pseudopotential model; Semiconductor materials; Semiconductors; Ternary alloys; Theoretical; Velocity; Zincblende
• ISSN: 1569-8025; 1572-8137
• DOI: 10.1007/s10825-022-01923-8

We investigated the electronic, phonon frequencies, and sound velocity of GaAs 1-x N x 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 GaAs 1-x N x 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 bandgap is predicted for GaAs 1-x N x alloys at high-pressure values. According to the findings of this study, the GaAs 1-x N x characteristics could have substantial optoelectronic applications in the infrared and mid-infrared spectral ranges.