Structure, Magnetism and Dynamics of Nanostructured Materials : A Theoretical Investigation

Samuel Dennler (1, 2) , Marie-Claire Fromen (2) , Marie-José Casanove (2) , Gustavo Pastor (3) , Joseph Morillo (2) , J. Hafner (1)

1 CMS - Center for Computational Materials Science
2 CEMES - Centre d'élaboration de matériaux et d'études structurales
3 LPQ - Laboratoire de Physique Quantique

The presented work illustrates how modern atomistic modeling and simulation can 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. This paper presents our recent theoretical work on nanostructured materials including i) magnetic alloyed CoRh nanoparticles that are good candidates to combine both a large magnetic moment and a high magnetic anisotropy, and ii) nanoscale Mn films adsorbed on W substrates as an example of artificial magnetic

Mots clés: bimetallic nanoparticles ultrathin films nanostructures magnetism diffusion ab initio multiscale modeling atomic materials design computer experiments

Domaines: Science des matériaux [cond-mat.mtrl-sci]

Samuel Dennler, Marie-Claire Fromen, Marie-José Casanove, Gustavo Pastor, Joseph Morillo, et al.. Structure, Magnetism and Dynamics of Nanostructured Materials : A Theoretical Investigation. ENS 2005, Dec 2005, Paris, France. pp.116-120. ⟨hal-00167011⟩