2026-07-072026-07-07http://salesiana.dossiersoluciones.com/handle/123456789/137726The properties of perfect screw dislocations have been investigated for several zinc-blende materials such as diamond, Si, $β$-SiC, Ge and GaAs, by performing first principles calculations. For almost all elements, a core configuration belonging to shuffle set planes is favored, in agreement with low temperature experiments. Only for diamond, a glide configuration has the lowest defect energy, thanks to an sp$^2$ hybridization in the core.Materials ScienceStability of undissociated screw dislocations in zinc-blende covalent materials from first principle simulationstext