Stability of undissociated screw dislocations in zinc-blende covalent materials from first principle simulations

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dc.creatorPizzagalli, Laurent
dc.creatorBeauchamp, Pierre
dc.creatorRabier, Jacques
dc.date2007-09-11
dc.date.accessioned2026-07-07T08:28:44Z
dc.date.available2026-07-07T08:28:44Z
dc.descriptionThe 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.
dc.identifierhttps://arxiv.org/abs/0709.1581
dc.identifierhttp://arxiv.org/abs/0709.1581
dc.identifierEurophysics Letters (EPL) 72, 3 (2005) 410
dc.identifierdoi:10.1209/epl/i2005-10259-y
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/137726
dc.subjectMaterials Science
dc.titleStability of undissociated screw dislocations in zinc-blende covalent materials from first principle simulations
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