A05

With density-functional band-structure methods, new materials with topologically nontrivial electronic and/or magnetic ground states will be identified and proposed for further investigation. The calculated band structures, topological invariants, Berry curvature, magnetic ordering, spin-spin, and spin-orbit interactions will serve as a basis for the further development of material-oriented many-particle models and effective Hamiltonians. This approach is ultimately aimed at the design of new materials with strongly frustrated magnetic ground states and/or nontrivial topological properties.

Principal investigators

Participating scientists