Electron correlation effects at semiconductor surfaces and interfaces: Si(111)-5x5, Si(111)-7x7 and [formula omitted

Abstract

Electron correlation effects associated with the dangling bond surface states of Si(111)-5×5, Si(111)-7×7 and Sn Ge(111) -3×3 are analyzed. In all the cases, extensive LDA-calculations are performed and effective two-dimensional Hamiltonians are deduced. Our analysis of these Hamiltonians shows that: (a) the Si(111)-5×5 surface states exhibits a metal-insulator transition; (b) the Si(111)-7×7 surface shows important similarities with the Si(111)-5×5 case, but it has a dangling bond surface band having a metallic character; (c) finally, the Sn Ge(111) -3×3 dangling bond surface bands also shows important correlation effects that are found, however, not to affect the metallic character of the surface bands.