Specific features of the electronic band structure and x-ray spectra of boron nitride in sphalerite and wurtzite modifications

The electronic band structure of boron nitride compounds with crystal lattices of the sphalerite (c-BN) and wurtzite (w-BN) types is calculated by the local coherent potential method in the cluster muffin-tin approximation within the framework of the multiple scattering theory. The local partial densities of 2p states for boron and nitrogen in c-BN and w-BN modifications are compared with the experimental boron and nitrogen K x-ray emission spectra and band-structure calculations. A comparison of the total densities of states in c-BN and w-BN with the x-ray photoelectron spectra and the band calculations has revealed both similarities and differences in the electronic structures of these modifications. The fine structure in the vicinity of the valence band top of boron nitride in different crystal modifications is theoretically calculated for the first time. The specific features of the electronic structure and the x-ray spectra of boron nitride in different modifications are discussed.