Abstract
A self-consistent calculation has been made, using non-local norm-conserving pseudopotentials and the local-density approximation, to study the electronic states for LEED determined structure of an ordered monolayer deposition of Sb on the InP(110) surface. A number of chemisorbed induced states have been identified in the various band gaps of InP. In particular it is found that there are three occupied and two unoccupied states in the fundamental band gap. In agreement with the inverse photoemission study of Drube and Himpsel (1988) the authors find that for the monolayer coverage of Sb there is no unoccupied electronic state in the fundamental band gap of InP. Charge density analysis reveals that while states localized on the second-substrate-layer atoms retain their identity, states localized on the top substrate layer atoms are changed into Sb-In and Sb-P bonding and antibonding states. In addition they identify states originating from the adsorbate layer containing the Sb-Sb chain.
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