Abstract
We investigated various surface reconstructions of a GaAs(311)$A$ surface by using first-principles calculations. The relative stability of the reconstructions was compared by estimating the formation energy taking into account the chemical potentials of Ga and As. We found many metastable reconstructions. Moreover, we found that the electron counting model is not so effective for this surface, although it is a strong guiding principle for determining the stable surface reconstruction of GaAs(100). Further investigations suggested that $s{p}^{2}$-like bond formation effectively works on the (311)$A$ surface. Competition between the $s{p}^{2}$-like bond formation and the conventional stabilization mechanism of As-dimer formation would explain why the (311)$A$ surface has many metastable surface reconstructions.
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