Monte Carlo calculations for solid CO and N₂overlayers physisorbed on graphite

Abstract

Monte Carlo calculations are reported for solid overlayers of CO and N2 physisorbed on the graphite basal plane. The effect of compression on the ground state structure and the orientational order-disorder transitions is examined. For N2 there is good agreement with experiment but this is not the case for CO where it appears that our intermolecular potential corresponds to a molecule which is too small.