Using the discrete variation method (DVM) the modelling of electronic and energy states of the (111) face of TiC, containing adsorbed hydrogen, is carried out. The peculiarities of the electron distributions, the parameters of the interatomic interactions, and the equilibrium distances of H adsorbed on the (111) face of TiC are calculated. The theoretical electron C K VV and TiL23M23V Auger‐spectra are presented for the ideal and containing adsorbed hydrogen polar (111) face of TiC.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics