Electron states of a stacking fault ribbon in silicon

Abstract

The electronic structure of a bounded intrinsic stacking fault in silicon is calculated. The method used is an LCAO-scheme (Linear Combinations of Atomic Orbitals) taking ten atomic orbitals of s-, p-, and d-type into account. The levels in the band gap are extracted using Lanczos' algorithm and a continued fraction representation of the local density of states. We find occupied states located up to 0.3 eV above the valence band maximum ( E v . This significantly differs from the result obtained for the ideal infinite fault for which the interface state is located at E v + 0.1 eV.