New Structural Model for theSi(331)−(12×1)Surface Reconstruction

Abstract

A new structural model for the $\mathrm{Si}(331)\mathrm{\text{\ensuremath{-}}}(12\ifmmode\times\else\texttimes\fi{}1)$ surface reconstruction is proposed. Based on scanning tunneling microscopy images of unprecedented resolution, low-energy electron diffraction data, and first-principles total-energy calculations, we demonstrate that the reconstructed Si(331) surface shares the same elementary building blocks as the $\mathrm{Si}(110)\mathrm{\text{\ensuremath{-}}}(16\ifmmode\times\else\texttimes\fi{}2)$ surface, establishing the pentamer as a universal building block for complex silicon surface reconstructions.