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15 papers · 2 filters
Structure of graphene and a surface carbide grown on the (0001) surface of rhenium
Estelle Mazaleyrat, Monica Pozzo, Dario Alfè +7
Transition metal surfaces catalyse a broad range of thermally-activated reactions involving carbon-containing-species -- from atomic carbon to small hydrocarbons or organic molecul…
Large Rashba unidirectional magnetoresistance in the Fe/Ge(111) interface states
T. Guillet, C. Zucchetti, A. Marty +8
The structure inversion asymmetry at surfaces and interfaces give rise to the Rashba spin-orbit interaction (SOI), that breaks the spin degeneracy of surface or interface states. H…
Solubility limit of Ge Dopants in AlGaN: a Chemical and Microstructural Investigation down to the Nanoscale
C. Bougerol, E. Robin, E. Di Russo +5
Attaining low resistivity AlGaN layers is the keystone to improve the efficiency of light emitting devices in the ultraviolet spectral range. Here, we present a microstructural ana…
PyNX: high performance computing toolkit for coherent X-ray imaging based on operators
Vincent Favre-Nicolin, Gaétan Girard, Steven Leake +5
The open-source PyNX toolkit [Favre-Nicolin et al (2011) arXiv:1010.2641, Mandula et al (2016)] has been extended to provide tools for coherent X-ray imaging data analysis and simu…
A switchable two-dimensional electron gas based on ferroelectric Ca:SrTiO
Julien Bréhin, Felix Trier, Luis M. Vicente-Arche +14
Two-dimensional electron gases (2DEGs) can form at the surface of oxides and semiconductors or in carefully designed quantum wells and interfaces. Depending on the shape of the con…
The CECAM Electronic Structure Library and the modular software development paradigm
Micael J. T. Oliveira, Nick Papior, Yann Pouillon +34
First-principles electronic structure calculations are very widely used thanks to the many successful software packages available. Their traditional coding paradigm is monolithic,…