Surface resistivity induced by isolated atoms and atomic clusters on metallic surfaces

We investigate the surface resistivity induced by isolated atoms and atomic clusters adsorbed on semi-infinite flat jellium substrates by a first-principles density-functional calculation. For this purpose, the original expression of the surface resistivity derived in a recent work [Phys. Rev. B 52, 10 819 (1995)] is recast in a form suitable for surface Green function calculations based on the Dyson equation. For single atoms and diatomic molecules, we study the dependence of the adsorbate-induced resistivity on the adatom-substrate bond length and the adatom-adatom bond length. In addition, we perform extensive resistivity calculations for atomic clusters consisting of n atoms in various atomic configurations (n less than or equal to 5) in order to clarify the dependence of the adsorbate-induced resistivity on the size and shape of atomic clusters.