26 citations · 75 across the 5 of their papers we have counts for
5 papers
Defect-induced magnetism in graphite through neutron irradiation
Yutian Wang, Pascal Pochet, Catherine A. Jenkins +5
We have investigated the variation in the magnetization of highly ordered pyrolytic graphite (HOPG) after neutron irradiation, which introduces defects in the bulk sample and conse…
Probing potential energy surface exploration strategies for complex systems
Gawonou Kokou N'Tsouaglo, Laurent Karim Béland, Jean-François Joly +3
The efficiency of minimum-energy configuration searching algorithms is closely linked to the energy landscape structure of complex systems. Here we characterize this structure by f…
Strain effect and intermixing at the Si surface: A hybrid quantum and molecular mechanics study
Laurent Karim Béland, Eduardo Machado-Charry, Pascal Pochet +1
We investigate Ge mixing at the Si(001) surface and characterize the Si(001) reconstruction by means of hybrid quantum and molecular mechanics calculations (QM/MM). Avo…
Interface-driven phase separation in multifunctional materials: the case of GeMn ferromagnetic semiconductor
Emmanuel Arras, Frédéric Lançon, Ivetta Slipukhina +11
We use extensive first principle simulations to show the major role played by interfaces in the mechanism of phase separation observed in semiconductor multifunctional materials. W…
Strain and correlation of self-organized Ge_(1-x)Mn_x nanocolumns embedded in Ge (001)
S. Tardif, V. Favre-Nicolin, F. Lançon +8
We report on the structural properties of Ge_(1-x)Mn_x layers grown by molecular beam epitaxy. In these layers, nanocolumns with a high Mn content are embedded in an almost-pure Ge…