Electron energy structure and X-ray spectra of wide-band GaN, AlN, and AlN-GaN semiconductors

Abstract

The electronic energy structure of GaN, AlN, and AlGaN crystals with the wurzite structure is calculated by the local coherent potential method using the cluster version of the MT-approximation within the framework of the multiple scattering theory. The calculated densities of electron states are compared with XPS spectra of gallium and aluminum, AlL II, III XES, and also with K-spectra of gallium and AlL II, III XAFS absorption. The comparison of the electronic structure of AlxGa1−x N crystals and binary GaN and AlN and the interpretation of their features are performed. The concentration dependence of the width of the upper subband of the valence band and the band gap in AlxGa1−x N (x = 0, 0.25, 0.5, 0.75, 1) crystals on the content of aluminum is studied and its non-linear character shown.