Abstract
The structure of (\ensuremath{\surd}3 \ifmmode\times\else\texttimes\fi{} \ensuremath{\surd}3 ) Ag/Si(111) is investigated using first-principles total-energy calculations. The lowest-energy configuration consists of a top layer of Ag atoms arranged as ``honeycomb chained trimers'' lying above a distorted ``missing top layer'' Si(111) substrate. We find that the honeycomb structure observed in scanning-tunneling-microscope images arises from the electronic charge density on an empty surface band near the Fermi level.
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