Our investigation will follow three thrusts: (i) functional materials for multi-ferroic and catalytic applications, (ii) materials for magneto-caloric applications, (iii) magnetic anisotropy and rare earth free hard magnetic materials.
(i) We plan to perform studies on the promising gallium-ferrite GaFeO3 to understand the prevailing ferri-magnetic order and the behavior under doping and for excess iron. Similar representatives of this material class will also be investigated. We will follow up our investigation on TiO2 in particular also studying surfaces and interfaces (with P15, P07).
(ii) The most promising materials are meta-magnets i.e. systems with a first (or strongly second order) magnetic phase transition at reasonably applied magnetic fields. The development of new materials with tailor made properties is a great challenge for the future.
(iii) We plan to investigate rare earth free systems by exploiting the anisotropy of 5d elements like in the family of compounds derived from SrFe12O19 (with P12, P07).
All investigation are based on calculations of the electronic and magnetic structure using the density functional formalism within the local density approximation and beyond (hybrid functionals, GW, and RPA), which are well suited for a realistic description of the materials and properties involved (with P02).
| Mohn, Peter Principal Investigator, P09 | Vienna University of Technology Institute of Applied Physics |
| Redinger, Josef National Research Partner, P09 | Vienna University of Technology Institute of Applied Physics |
| Atanelov, Jacqueline Participating Researcher, P09 | Vienna University of Technology Institute of Applied Physics |
 | Reith, David Participating Researcher, P13 | Vienna University of Technology Institute of Applied Physics |
