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22 papers · 1 filter
Intermediate range chemical ordering of cations in simple molten alkali halides
M. Salanne, C. Simon, P. Turq +1
The presence of first sharp diffraction peaks in the partial structure factors is investigated in computer simulations of molten mixtures of alkali halides. An intermediate range o…
Imaging the antiparallel magnetic alignment of adjacent Fe and MnAs thin films
R. Breitwieser, M. Marangolo, J. Luning +5
The magnetic coupling between iron and alpha - MnAs in the epitaxial system Fe/MnAs/GaAs(001) has been studied at the sub-micron scale, using element selective x-ray photoemission…
Impact of the electron-electron correlation on phonon dispersions: failure of LDA and GGA functionals in graphene and graphite
Michele Lazzeri, Claudio Attaccalite, Ludger Wirtz +1
We compute electron-phonon coupling (EPC) of selected phonon modes in graphene and graphite using various ab-initio methods. The inclusion of non-local exchange-correlation effects…
Structure, Stability, Edge States and Aromaticity of Graphene Ribbons
Tobias Wassmann, Ari P. Seitsonen, A. Marco Saitta +2
We determine the stability, the geometry, the electronic and magnetic structure of hydrogen-terminated graphene-nanoribbons edges as a function of the hydrogen content of the envir…
Strain-Control of the magnetic anisotropy in (Ga,Mn)(As,P) ferromagnetic semiconductor layers
Aristide Lemaître, Audrey Miard, Laurent Travers +6
A small fraction of phosphorus (up to 10 %) was incorporated in ferromagnetic (Ga,Mn)As epilayers grown on a GaAs substrate. P incorporation allows reducing the epitaxial strain or…
A study of localisation in dual-phase high-strength steels under dynamic loading using digital image correlation and FE analysis
V. Tarigopula, O. S. Hopperstad, M. Langseth +2
Tensile tests were conducted on dual-phase high-strength steel in a Split-Hopkinson Tension Bar at a strain-rate in the range of 150-600/s and in a servo-hydraulic testing machine…