Electronic structure of the unreconstructed 30° partial dislocation in silicon

Abstract

The electronic structure of the unreconstructed 30\ifmmode^\circ\else\textdegree\fi{} partial dislocation in silicon is calculated using a local pseudopotential and a minimal basis set. The minimal basis set consists of $s$- and $p$-symmetry orbitals and is augmented by five $d$-symmetry orbitals. The model-core geometry is determined by high-resolution electron microscopy. The calculation indicates the existence of a one-dimensional band of dangling-bond states which propagate along the dislocation line. This band is half filled, implying metallic properties.