Indirect Interaction between Adatoms on a Tight-Binding Solid

Abstract

The indirect interaction between adatom pairs on the (100) surface of a simple-cubic tight-binding solid is investigated within a molecular-orbital approach. A general scheme for calculating the surface-density-of-states change and the interaction energy of one and two single-level adatoms is presented, and contact (and a correction) is made with Grimley's formulation. The method permits binding above surface atoms, at bridge sites, or at centered positions, and yields interaction energy as a function of band filling, adatom energy level, and a general hopping potential V between an adatom and the nearest surface atom(s).