79 citations · 376 across the 9 of their papers we have counts for
9 papers
Theoretical study of kinks on screw dislocation in silicon
Laurent Pizzagalli, Andreas Pedersen, Andri Arnaldsson +2
Theoretical calculations of the structure, formation and migration of kinks on a non-dissociated screw dislocation in silicon have been carried out using density functional theory…
Effects of temperature and surface step on the incipient plasticity in strained aluminium studied by atomistic simulations
Pierre Hirel, Sandrine Brochard, Laurent Pizzagalli +1
Atomistic simulations using an EAM potential are carried out to investigate the first stages of plasticity in aluminum slabs, in particular the effect of both temperature and step…
First principles determination of the Peierls stress of the shuffle screw dislocation in silicon
Laurent Pizzagalli, Pierre Beauchamp
The Peierls stress of the a/2<110> screw dislocation belonging to the shuffle set is calculated for silicon using density functional theory. We have checked the effect of boundary…
Theoretical study of dislocation nucleation from simple surface defects in semiconductors
Julien Godet, Laurent Pizzagalli, Sandrine Brochard +1
Large-scale atomistic calculations, using empirical potentials for modeling semiconductors, have been performed on a stressed system with linear surface defects like steps. Althoug…
Comparison between classical potentials and ab initio for silicon under large shear
Julien Godet, Laurent Pizzagalli, Sandrine Brochard +1
The homogeneous shear of the {111} planes along the <110> direction of bulk silicon has been investigated using ab initio techniques, to better understand the strain properties of…
Undissociated screw dislocations in silicon: calculations of core structure and energy
Laurent Pizzagalli, Pierre Beauchamp, Jacques Rabier
The stability of the perfect screw dislocation in silicon has been investigated using both classical potentials and first-principles calculations. Although a recent study by Koizum…