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the former Abteilung Andersen
The electronic structure plays a key role in determining the transport, magnetic, optical, and bonding properties of solids. The members of the Andersen Abteilung calculate the electronic properties of weakly as well as strongly correlated materials, for which the dominating electronic energy is, respectively, the kinetic energy and the Coulomb repulsion. The work on weakly correlated systems is based on density-functional theory (DFT). For strongly correlated d-electron systems, an essential aim is to introduce chemical realism in the description by developing realistic Hubbard Hamiltonians, e.g., by using basis sets of Wannier functions derived from NMTO DFT calculations. The Hubbard Hamiltonians have been solved in the static and dynamical mean-field approximations, as well as in dynamical cluster approximations. Another focus is the calculation of phonon spectra and the electron-phonon interaction, using DFT and also attempting to include electronic correlations. Of specific interest have been metal-insulator transitions and dynamical, magnetic, optical, and superconducting properties of high-Tc cuprates, nickelate heterostructures, and iron-pnictide and chalcogenide superconductors. A more detailed description of some projects may be found here: sp-compounds
Vietri sul Mare 2010: 5 lectures |