Publications (14)
Deciphering mechanisms of enhanced-retarded oxygen diffusion in doped Si
Dilyara Timerkaeva, Damien Caliste, Pascal Pochet
Boron aggregation in the ground states of boron-carbon fullerenes
Stephan Mohr, Pascal Pochet, Maximilian Amsler +4
Revisiting the domain model for lithium intercalated graphite
Sridevi Krishnan, Gilles Brenet, Eduardo Machado-Charry +4
Interface identification of the solid electrolyte interphase on graphite
Elena Zvereva, Damien Caliste, Pascal Pochet
The energy landscape of fullerene materials: a comparison between boron, boron-nitride and carbon
Sandip De, Alexander Willand, Maximilian Amsler +3
Tunable magnetic states in h-BN sheets
Eduardo Machado-Charry, Paul Boulanger, Luigi Genovese +2
Strain effect and intermixing at the Si surface: A hybrid quantum and molecular mechanics study
Laurent Karim Béland, Eduardo Machado-Charry, Pascal Pochet +1
Selecting Boron Fullerenes by Cage-Doping Mechanisms
Paul Boulanger, Maxime Moriniere, Luigi Genovese +1
Structural, electronic, and optical properties of the C-C complex in bulk silicon from first principles
Dilyara Timerkaeva, Claudio Attaccalite, Gilles Brenet +2
X-ray magnetic circular dichroism in (Ge,Mn) compounds: experiments and modeling
Samuel Tardif, Andrey Titov, Emmanuel Arras +10
Interface-driven phase separation in multifunctional materials: the case of GeMn ferromagnetic semiconductor
Emmanuel Arras, Frédéric Lançon, Ivetta Slipukhina +11
Degenerate epitaxy-driven defects in monolayer silicon oxide onto ruthenium
Shashank Mathur, Sergio Vlaic, Eduardo Machado-Charry +6
Defect-induced magnetism in graphite through neutron irradiation
Yutian Wang, Pascal Pochet, Catherine A. Jenkins +5
Probing potential energy surface exploration strategies for complex systems
Gawonou Kokou N'Tsouaglo, Laurent Karim Béland, Jean-François Joly +3