Pseudopotential calculation of the surface band structure of (111) diamond and zinc-blende faces: Ge,α−Sn, GaAs, and ZnS

Abstract

By using a pseudopotential model previously applied to the (111) surface of silicon, the surface band structure of ideal unrelaxed (111) diamond surfaces, and of (111) cationlike and ($\overline{1}\overline{1}\overline{1}$) anionlike zinc-blende surfaces are studied. Results are given for Ge, $\alpha -\mathrm{S}\mathrm{n}$, GaAs, and ZnS. A single band of surface states is found for diamond and anionlike zinc-blende surfaces. For cationlike surfaces some more bands appear, one of them being similar in shape to the anionlike band, but much wider.