The electron states associated with the core region of the 60° dislocation in silicon

A geometrical arrangement of silicon atoms corresponding to a cylinder of infinite length with a 60° dislocation core along the axis is constructed using linear elasticity theory. The one‐electron energy bands of this cylinder are studied using extended Hückel theory with parameters optimized to give best fit to the absolute bulk energy bands of finite silicon crystals. Electron states localized at the atoms in the dislocation core have a profound dangling bond character and form a band in the bandgap with a width of about 0.7 eV.