First-principles plane-wave super-cell geometry local-density approximation calculations were performed for 2 possible models for the c(4 x 2) reconstruction of the β-SiC(001) surface. These were the alternating up-down dimer model, and the missing-row asymmetrical dimer model. The results supported the contention that the latter model was favoured for all allowed values of the chemical potential.

Modelling the c(4 x 2) Reconstruction of β-SiC(001). S.A.Shevlin, A.J.Fisher: Physical Review B, 2000, 62[11], 6904-7