Quantum-chemical self-consistent-field X scattered-wave investigation of La2CuO4 vacant surface electron states

The vacant electron states of the La2CuO4 surface, formed by the cleft between two La-O layers, have been studied by the self-consistent-field X scattered-wave method. It was shown that the vacant electronic states of the La2CuO4 surface differ slightly from those of the bulk. This is explained by the fact that in spite of appreciable changes in the density of one-electron states near the Fermi level in the thin film modeled, spatial distribution of the total electronic charge remains practically unchanged.