Spin Polarization and Atomic Geometry of the Si(111) Surface

Abstract

Based on pseudopotential local spin-density calculations, it is proposed that the minimum-energy Si(111) nonbuckled surface is stable against 2\ifmmode\times\else\texttimes\fi{}1 buckling distortions. A 2\ifmmode\times\else\texttimes\fi{}1 antiferromagnetic spin-density wave, localized on the surface, enhances the stability of this structure.