Using the Green’s function method the band structure of titanium carbide containing isolated nitrogen and oxygen impurity atoms has been calculated in the ASA-KKR approximation. The dependence of the local electronic distributions of impurity centres on the nature of the latter and on the band structure of the matrix is discussed. The results are compared with X-ray emission spectra of titanium carbonitrides and oxycarbides.
|Number of pages||7|
|Journal||Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties|
|Publication status||Published - Jan 1986|