Abstract

Various phases of the Si(111) surface are surveyed on the results of first-principle pseudopotential calculations for electronic structure. The 7×7 reconstruction on the clean surface and the √3×√3 superlattice structures induced by adatoms are taken up. Some new findings are presented for Sb and Ag adatom systems. Calculated results are interpreted from a standpoint that the electronic properties are closely related to the configuration of surface atoms and vice versa. Surface electronic structures of these surfaces for an appropriate atomic configuration are consistent with spectroscopic data

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