Abstract:
The metallic ion components of the absorption energy of Ga and Cl atoms on C and Si faces of $p$- and $n$-SiC have been calculated in the framework of the Haldane–Anderson model. It is shown, first, that the ion contribution is higher than the metallic contribution in all cases under consideration. Second, the binding energy of Ga adatoms during adsorption on $p$-SiC is higher than that of Cl adatoms, while, in the case of adsorption on $n$-SiC, the opposite situation is observed. A simple ionic model of adsorption of a GaCl molecule on silicon carbide has been proposed. The comparison with the results of other authors demonstrates the acceptability of the proposed models.
Keywords:band and local states, occupation numbers, adsorption energy.