Staff
Pavel Novák
Vladimír Nekvasil
Activities
Calculation of electronic structure and physical properties of solids using both the ab-initio approach and effective Hamiltonian methods.
Recently considered problems:
- Crystal field and magnetism with Wannier functions. The knowledge of the crystal field parameters is necessary for understanding the properties of rare-earth compounds . We developed a new way of calculating the crystal field and applied it to rare-earth containing oxides, fluorides and intermetallic compounds.
- Systems with competing electron correlation,spin-orbit coupling and crystal field. In several compounds of iridium, paladium and platinum the interplay between the strong spin-orbit coupling, on-site electron repulsion, crystal-field and intersite hopping leeds to a complex phase diagram and unconventional physical properties.
- Calculation of hyperfine interactions.
Cooperations:
- Experimental groups in the department
- Department of solid state theory IOP
- Department of optical materials IOP
- Numerous international cooperations
