Surface relaxation effects in the adsorption of neon on xenon crystals

Abstract

Surface relaxation has been considered for the (100), (110) and (111) faces and for the cube edges of a Xe crystal.

The effects of relaxation on the potential energy of adsorption of Ne and on the probability distribution and total energy of the adsorbed atoms have been studied. It is shown that changes in the adsorption energies are within a few percent of the values obtained with unrelaxed models.

Relaxation effects are quite different on various adsorption sites, and opposite effects may be found on different crystal faces.