Energy Bands of Reconstructed Surface States of Cleaved Si

Abstract

Coordinates of atoms in the first and second layers of Si(111) 2\ifmmode\times\else\texttimes\fi{}1 have been determined which yield surface energy bands in good agreement with experiment. Two surface resonances in angular photoemission data previously assigned to dangling-bond surface states are identified as arising from the maximum in the lower dangling-bond band and from a saddle point in the upper back-bonding band.