The total energies, geometries and electronic structure were calculated for 2 competing models of the Si-rich (3 x 2) reconstruction of β-SiC(001). In order to compare the energies, some value of the chemical potential of silicon atoms had to be assumed. For most reasonable assumptions, It was found that the Yan–Semond model was favoured. This model also gave a highest occupied surface state whose dispersion characteristics matched photo-emission experiments.

Modeling of the β-SiC(001) (3 x 2) Surface Reconstruction. S.A.Shevlin, A.J.Fisher: Applied Surface Science, 2000, 162-163, 94-9