Branches of the generalized stacking-fault energy surfaces for {013} and{110} planes were calculated by using first-principles density functional methods. The possible antiphase boundary faults were found to be unstable, but stable stacking faults which permitted <331> dislocations to lower their energy by dissociation were found on both planes. On the basis of the properties of the predicted dissociated dislocations, a qualitative model was developed in order to account for the observed features of {013}<331> slip in this material; including the ductile-to-brittle transition.

<331> Slip on {013} Planes in Molybdenum Disilicide. U.V.Waghmare, V.Bulatov, E.Kaxiras, M.S.Duesbery: Philosophical Magazine A, 1999, 79[3], 655-63