From the scientific point of view, I am interested in the broad field of materials research. I apply and develop numerical methods for the prediction of material specific properties, which are needed in nowadays technical applications.
At the moment, my personal focus is on various oxide materials because these materials class offers a broad spectrum of physical properties from magnets, insulators, metals over piezo electricity, magneto calorics, etc. to their combinations - so called multiferroics. I am studying also other materials for specific applications - rare earth permanent magnets, graphene, and single atom memories.
These materails are studied with numerical methods based on density functional theory and model calculations like a classical Heisenberg model in Monte Carlo simulations. The most often used numerical codes are the Korringa-Kohn-Rostoker Green's function method (KKR) and the Vienna ab initio simulation package (VASP). This combination of numerical methods allows the intensive study of structural, electronic and magnetic properties. Typical antiquates can be easily calculated - density of states, band structure, magnetic moments - but also the phonon spectrum, the magnetic exchange parameters, and critical temperature are available.
One special feature of the KKR is the study of point defects in 3D or 2D systems. The understanding of the local microstructure around a defect and its macroscopic effect on the materials properties plays a crucial role in the design of materials tailored for a specific purpose in industries.