The change in the total electronic energy which occurred upon reconstruction of the (001) face of a model two-band crystal with the CsCl structure was presented. The energy changes due to a (2 x 1) and a c(2 x 2) reconstruction were considered. The results were obtained by a Green's function perturbation technique. The Green's functions appropriate for this reconstructed surface were analytic. The question of whether or not reconstruction occurred on a surface was shown to be dependent upon the relative magnitudes of the electronic energy and the strain energy.

Surface Reconstruction of a Two-Band Crystal II - Model Results. S.L.Cunningham, W.Ho, W.H.Weinberg, L.Dobrzynski: Applications of Surface Science, 1977, 1[1], 44-58