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Towards atomic-scale design: A theoretical investigation of magnetic nanoparticles and ultrathin films |
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| Authors: | S. Dennler M.C. Fromen G.M. Pastor J. Hafner |
| Affiliation: | a Laboratoire des Colloïdes, Verres et Nanomatériaux, CNRS-Université de Montpellier II, France b Centre d’Elaboration de Matériaux et d’Etudes Structurales, CNRS, Toulouse, France c Laboratoire de Nanophysique Magnétisme et Optoélectronique, Institut National des Sciences Appliquées, Toulouse, France d Institut für Materialphysik and Center for Computational Materials Science, Universität Wien, Austria |
| Abstract: | This paper reports recent theoretical work on nanostructured materials including magnetic alloyed CoRh nanoparticles that are good candidates to combine both a large magnetic moment and a high magnetic anisotropy, and nanoscale Mn films adsorbed on W substrates as an example of artificial magnetic material. It illustrates how modern atomistic modeling and simulation can fruitfully supplement the experiments performed in the laboratory by helping to resolve and understand the experimental information, by predicting new phenomena and providing useful hints to guide the development of innovative materials with original, specifically tailored properties. |
| Keywords: | Simulation Magnetism Nanoparticles Ultrathin films Atomic-scale engineering |
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