Models of core reconstruction for the 90-degree partial dislocation in semiconductors

Abstract

We compare the models that have been proposed in the literature for the atomic structure of the 90-degree partial dislocation in the homopolar semiconductors, silicon, diamond, and germanium. In particular, we examine the traditional single-period and our recently proposed double-period core structures. Ab-initio and tight-binding results on the core energies are discussed, and the geometries are compared in light of the available experimental information about dislocations in these systems. The double-period geometry is found to be the ground-state structure in all three materials. We address boundary-conditions issues that have been recently raised about these results. The structures of point excitations (kinks, solitons, and kink-soliton complexes) in the two geometries are also reviewed.