J. Ortega et al., Electron correlation effects at semiconductor surfaces and interfaces: Si(111)-5x5, Si(111)-7x7 and Sn/Ge(111), PROG SURF S, 59(1-4), 1998, pp. 233-243
Electron correlation effects associated with the dangling bond surface stat
es of Si(111)-5x5, Si(111)-7x7 and Sn/Ge(111)-3x3 are analyzed. In all the
cases, ex tensive LDA-calculations are performed and effective two-dimensio
nal Hamiltonians are deduced. Our analysis of these Hamiltonians shows that
: (a) the Si(lll)-5x5 surface states exhibits a metal-insulator transition;
(b) the Si(lll)-7x7 surface shows important similarities with,the Si(111)-
5x5 case, but it has a dangling bond surface band having a metallic charact
er; (c) finally, the Sn/Ge(lll)-3x3 dangling bond surface bands also shows
important correlation effects that are found, however, not to affect the me
tallic character of the surface bands.