The semi-discrete variational generalized Peierls-Nabarro model was used to study the dislocation core properties. The generalized stacking-fault energy surface which was implicated in the model was calculated by using first-principles density functional theory. The core width, energy and Peierls stress were investigated for various dislocations. The correlation between core energy and Peierls stress was explored. The results revealed the existence of a simple relationship between the Peierls stress and the ratio of the core width to the atomic spacing.

Dislocation Core Properties of Aluminium - a First-Principles Study. G.Lu, N.Kioussis, V.V.Bulatov, E.Kaxiras: Materials Science and Engineering A, 2001, 309-310, 142-7