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PV: Plenarvorträge

PV XVI

PV XVI: Plenary Talk

Thursday, March 14, 2013, 14:00–14:45, H1

Computational Materials Science Applied to Magnetism of Bulk and Nano-scale Materials — •Olle Eriksson — Department of Physics and Astronomy, Uppsala University, Sweden

A general background to density functional theory will be given, highlighting in particular the capabilities of theory to describe magnetic properties such as spin and orbital moments, as well as the magneto crystalline anisotropy. The latter property will be discussed in some further detail, due to the emerging interest in finding replacement materials for the currently used permanent magnets, that are based on rare-earth elements. Challenges with density functional theory in its conventional implementation will also be discussed, and results from dynamical mean field theory will be given for complex magnetic oxides and diluted magnetic semiconductors. At the end of the presentation the development in describing the magnetization dynamics by an atomistic approach will be given, and examples of the magnetization dynamics of bulk, thin films and nano-clusters will be discussed.