Abstract

We perform ab initio plane-wave supercell geometry local-density approximation calculations on two candidate models of the $c(4\ifmmode\times\else\texttimes\fi{}2)$ reconstruction of the $\ensuremath{\beta}\ensuremath{-}\mathrm{SiC}(001)$ surface: the alternating up down dimer model, and the missing row asymmetric dimer (MRAD) model. Our results support the contention of Lu et al. [W. Lu, P. Kr\uger, and J. Pollmann, Phys. Rev. Lett. 81, 2292 (1998)], that the MRAD model is favored for all allowed values of chemical potential, and suggest a reinterpretation of previous experiments.

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