Electronic structure of the single-domain Si ( 111 ) − ( 3 × 1 ) − Li surface

The band structure of the single-domain $\mathrm{Si}(111)\ensuremath{-}(3\ifmmode\times\else\texttimes\fi{}1)\ensuremath{-}\mathrm{Li}$ surface is investigated by angular resolved photoelectron spectroscopy (ARPES) with synchrotron radiation. Vicinal surfaces are used as templates for obtaining a single-domain $(3\ifmmode\times\else\texttimes\fi{}1)$ reconstruction. The surface band structure consists of a single, well-pronounced state at about 0.9 eV below the valence band maximum. Its dispersion matches local density calculations for the honeycomb-chain-channel (HCC) structure, but the calculated energy is 0.31 eV too high. This shift is reminiscent of localized surface states on other silicon surfaces, such as Si(111)-H.