Electronic Structure and X-Ray Spectra of the System SiC–(Al, Ti, C)

Abstract

The method of local coherent potential within the framework of the multiple scattering theory has been applied to calculate the electronic structure of solid solutions Si1—xCRx (x = 0.25; R = C, Al, Ti) with zinc-blende lattice. Within the same approximation the comparison of the electronic structure of the considered solid solutions with one of the binary analogues is carried out. The calculated partial local densities of electronic states are compared with experimental X-ray spectra of Si in the compounds. The analysis of the electronic structures of the investigated solid solutions testifies the delocalisation of resonance states inherent to the binary compounds, that can be an evidence of the weakening of chemical bonds in the solid solutions in question.