The inter-adsorbate interaction mediated by Shockley-type surface state electrons and dipole moment: Cs and Ba atoms absorbed on Ag (1 1 1) films

Abstract

Through first-principles investigation, we display the formation process of Shockley-type surface states which emerges on silver thin films along Ag (111) orientation with increasing thicknesses from 6 to 21 layers. We look at the surface state band for various adatoms adsorbed on 6, 12, 18 layers strained Ag (111) films with different coverage, and discuss the long range interaction mediated by surface state electrons. We discovered that film's thickness can modulate the surface state mediated interaction drastically, but the dipole–dipole repulsive interaction is not affected by slab thickness. This factor had never been discussed in detail. Therefore, adatoms adsorbed on thin films have strong attractive interaction which leads to small adsorption separation and the tendency of island formation. For different coverage or different adsorbate types, both surface states and dipole moment are modulated. The three factors, film's thickness, adsorbate coverage and adatoms types, could help us learn more about the interactions between adatoms and exploit advanced ways to control surface geometry structures of self-assembly.