Electron States of a Vacancy in the Core of the 90° Partial Dislocation in Silicon

Abstract

AbstractAn LCAO scheme (linear combination of atomic orbitals) taking into account ten atomic orbitals (s‐, p‐, and d‐type) is used to calculate the electronic structure of a vacancy present in the core of the reconstructed 90° partial dislocation in silicon. The levels in the band gap are extracted using Lanczos' algorithm and a continued fraction representation of the local density of states. The three‐fold degenerate state of the ideal vacancy is split into three levels with energies 0.26, 1.1, and 1.9 eV measured from the valence band edge.