Structural, electronic and optical properties of the quinary Al0.50Ga0.38In0.12N0.03Sb0.97:First-principles study

Abstract

Abstract: The structural, electronic and optical properties of Al0.50Ga0.38In0.12N0.03Sb0.97 have been investigated using a full potential linearized augmented plane wave (FP-LAPW) method within the local density approximation (LDA).The structural properties such as the lattice parameter, bulk modulus B, pressure derivative B’ are determined and electronic properties such as band gap and density of states have been pursued. On the other hand, the dielectric function, refraction index, reflectivity, conductivity function, and energy-loss spectra were obtained and analyzed on the basis of electronic band structures and density of states.