output
20032009
most citedAb initio molecular dynamics calculations of threshold displacement energies in silicon carbide

120 citations

Showing 2007Show all

14 papers · 1 filter

math.DG20072 cited

Modular classes of Lie algebroid morphisms

Yvette Kosmann-Schwarzbach, Camille Laurent-Gengoux, Alan Weinstein

We study the behavior of the modular class of a Lie algebroid under general Lie algebroid morphisms by introducing the relative modular class. We investigate the modular classes of…

math.AP200714 cited

On the dual variable of the Cauchy stress tensor in isotropic finite hyperelasticity

Claude Vallee, Danielle Fortune, Camelia Lerintiu

If the constitutive law linking the second Piola-Kirchhoff stress tensor and the right Cauchy-Green strain tensor derives from a potential, then the Cauchy stress tensor and the lo…

cond-mat.mtrl-sci2007120 cited

Ab initio molecular dynamics calculations of threshold displacement energies in silicon carbide

Guillaume Lucas, Laurent Pizzagalli

Using first principles molecular dynamics simulations, we have determined the threshold displacement energies and the associated created defects in cubic silicon carbide. Contrary…

cond-mat.mtrl-sci200779 cited

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…

cond-mat.mtrl-sci200730 cited

Theoretical investigations of a highly mismatched interface: the case of SiC/Si(001)

Laurent Pizzagalli, Giancarlo Cicero, Alessandra Catellani

Using first principles, classical potentials, and elasticity theory, we investigated the structure of a semiconductor/semiconductor interface with a high lattice mismatch, SiC/Si(0…

cond-mat.mtrl-sci200747 cited

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…