Knowledge of the electronic structure is a prerequisite for understanding the behavior of solids. To determine the electronic structure, the method of effective Hamiltonian and calculations from first principles are utilized.
Attention is focused on substances with strongly correlated electrons systems, mainly magnetically active materials as well as laser materials containing rare earth ions. Interconnection between theoretical and experimental results plays a key role in this field. Recently, we focused on an anomalous magnetic properties of iridium oxide, explaining EPR exchangeable ions Ce3+ bound in YAlO3. Furthermore, we focused on electronic structure and hyperfine interactions in magnetite and optical properties and magnetism of rare earths in oxides.
Contact person: Pavel Novák