Calculations are presented for the interactions of H2, He, Ne, and Ar with the (001) surfaces of LiF, NaCl, and MgO. We have used a model potential that we developed previously and here applied to new systems. The proposed interaction potential has only one free parameter. This is chosen to be a coefficient describing the long-range interaction, since such a coefficient is the least well known. We then discuss the applicability of this model by comparing the results for different systems. In particular we discuss the He/MgO(001) system for which contradictory experimental determinations of the well depth exist.
ASJC Scopus subject areas
- Condensed Matter Physics