Computational Magnetism

The main research objective of the Computational Magnetism research group is a theoretical and computational investigation of magnetic phenomena in bulk alloys, heterostructures and nanoparticles. One important tool of our studies is based on spin-models: first we determine suitable parameters from relativistic first principles calculations, then we study the magnetization processes of the system via Monte-Carlo and Langevin dynamics simulations. We also employ the relativistic disordered local moment scheme that takes into account the interplay between the thermal spin-fluctuations and the electronic structure. Our studies involve the exchange bias phenomenon in layered heterostructures, magnetic pattern formations in ultrathin films and the superparamagnetism of magnetic nanoparticles. We carry out our project within a broad international cooperation, including experimental and industrial partners. We intend to add not only to technological innovations of the near future, but by developing new theoretical methods we aim at studying the finite temperature magnetism of solids in general.