Argon multilayers on a corrugated surface: effect of coverage on structure

Crystalline layers of a simple, monoatomic fluid on a corrugated surface are studied using the molecular dynamics method. The structure of the first adsorbed layer at monolayer and multilayer coverages is examined. We observe a lateral compression of the first layer of the adsorbate lattice for bilayer coverage, relative to the monolayer coverage. This compression is largely driven by adsorbate–substrate interactions, and is most pronounced when the monolayer is incommensurate with the underlying substrate lattice. The results are consistent with neutron diffraction data of n-alkane molecules on graphite.