A model was developed to study the effect of site-site and adsorbate-site interactions on a substrate with spontaneous and adsorbate-induced surface reconstruction. The analytical results obtained by the application of the mean field approximation were compared with those obtained by Monte Carlo simulation. The behaviour of the adsorbate-substrate system was analysed as a function of the interaction between sites and that between a site and the adsorbate in its surroundings as a measure of surface stress.

Influence of Surface Stress on Reconstruction Processes - Analytical Study and Simulation by the Monte Carlo Method. P.A.Velasco, J.L.Rezzano:

Journal of Physics - Condensed Matter, 1999, 11[26], 4971-84