Bonding and surface electronic structure of an Sb overlayer on GaP(110)

We calculate the electronicstructure of an Sboverlayer on GaP(110) using a self-consistent pseudopotential approach. A detailed analysis of the energy position and the orbital nature of the overlayer induced states shows that the main contribution to the bonding between the adatoms and the substrate comes from states around 4 eV below the valence band maximum. A model description of the outcomes of the full calculation is presented, which differs from previous interpretations.