Electronic energy structure and X-ray spectra of GaN and BxGa1-xN crystals

The electronic energy structures of GaN wurtzite and zinc-blonde modifications and BxGa1-xN solid solutions are calculated using the local coherent potential method and the cluster version of the muffin-tin approximation in the framework of the multiple-scattering theory. The electronic structures of binary GaN crystals and ternary BxGa1-xN solid solutions are compared, and their features are interpreted. The boron concentration dependences of the width of the upper subband of the valence band, the band gap, and the bulk modulus of BxGa1-xN solid solutions (x=0.25, 0.50, 0.75) are studied, and these dependences are shown to be nonlinear.