Modélisation et simulation des propriétés optoélectroniques d’alliage à base de nitrures.

Abstract

In this work, we have studied the structural and electronic properties of the ternary BxIn1-xN, GaxAl1-xN ,GaxIn1-xN et AlxIn1-xN in the zinc-blende phase namely: the band structure, the mesh parameter, the bulk modulus and its first derivative for the binary constituents and their ternary compounds using ab initio methods. And to get closer to the results of the experimental gap, we used a correction by the potential mBJ. On the other hand, the study focused on the optical properties of the cubic ternaries GaxIn1-xN and AlxIn1-xN where we calculated the absorption coefficient and the refractive index. The results of our calculation were compared with other experimental and theoretical works and showed a very good agreement.