Si and H adsorption on the silicon terminated β-SiC(001) surface: an ab initio study

We review some recent results on the stoichiometric silicon terminated SiC(001) surface: in particular, we discuss the effect of strain on the clean surface, and the subsequent adsorption of Si and H atoms, by means of first principles molecular dynamics simulations. The structural modifications induced by hydrogenation on the stable reconstruction for the clean SiC surface compare fairly well with recent experimental data.