861 citations
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- Centre National de la Recherche ScientifiqueFR15 papers
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5 papers · 1 filter
Atomic layer deposition of ZnS nanotubes
Sh. Farhangfar, R. B. Yang, M. Pelletier +1
We report on growth of high-aspect-ratio () zinc sulfide nanotubes with variable, precisely tunable, wall thicknesses and tube diameters into highly ordered pores of an…
Maximally Localized Wannier Functions within the FLAPW formalism
F. Freimuth, Y. Mokrousov, D. Wortmann +2
We report on the implementation of the Wannier Functions (WFs) formalism within the full-potential linearized augmented plane wave method (FLAPW), suitable for bulk, film and one-d…
Hydrogen on graphene: Electronic structure, total energy, structural distortions, and magnetism from first-principles calculations
D. W. Boukhvalov, M. I. Katsnelson, A. I. Lichtenstein
Density functional calculations of electronic structure, total energy, structural distortions, and magnetism for hydrogenated single-layer, bilayer, and multi-layer graphene are pe…
Magnetism and local distortions near carbon impurity in -iron
D. W. Boukhvalov, Yu. N. Gornostyrev, M. I. Katsnelson +1
Local perturbations of crystal and magnetic structure of -iron near carbon interstitial impurity is investigated by {\it ab initio} electronic structure calculations. It is show…
Superparamagnetic behaviour of antiferromagnetic DyPO4 nanoparticles
T. G. Sorop, M. Evangelisti, M. Haase +1
We report on the low-temperature magnetic ac-susceptibility of antiferromagnetic DyPO4 nanoparticles with a very high surface to volume ratio. The results are interpreted in terms…