PEIERLS-NABARRO MODEL OF DISLOCATIONS IN SILICON WITH GENERALIZED STACKING-FAULT RESTORING FORCES

Using generalized stacking-fault (gsf) energies obtained from first-pr inciples. density-functional calculations, a zero-temperature model fo r dislocations in silicon is constructed within the framework of a Pei erls-Nabarro (PN) model. Core widths, core energies, PN pinning energi es, and stresses are calculated for various possible perfect and imper fect dislocations. Both shuffle and glide sets are considered. 90-degr ees partials are shown to have a lower Peierls stress than the 30-degr ees partials in accord with experiment.