most citedUndissociated screw dislocations in silicon: calculations of core structure and energy

49 citations

7 papers

cond-mat.mtrl-sci200847 cited

Heat transfer between a nano-tip and a surface

Pierre-Olivier Chapuis, Jean-Jacques Greffet, Karl Joulain +1

We study quasi-ballistic heat transfer through air between a hot nanometer-scale tip and a sample. The hot tip/surface configuration is widely used to perform nonintrusive confined…

cond-mat.other200724 cited

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…

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…

cond-mat.mtrl-sci200749 cited

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…

cond-mat.mtrl-sci200731 cited

Ab initio Study of Misfit Dislocations at the SiC/Si(001) Interface

Giancarlo Cicero, Laurent Pizzagalli, Alessandra Catellani

The high lattice mismatched SiC/Si(001) interface was investigated by means of combined classical and ab initio molecular dynamics. Among the several configurations analyzed, a dis…

cond-mat.mtrl-sci200714 cited

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

Laurent Pizzagalli, Pierre Beauchamp, Jacques Rabier

The properties of perfect screw dislocations have been investigated for several zinc-blende materials such as diamond, Si, -SiC, Ge and GaAs, by performing first principles calc…