Seminar:How do electronic correlations influence the lattice structure of a solid?

Time: March 30, at 4:00pm
Place: Room 242, East Building 4

How do electronic correlations influence the lattice structure of a solid?

Prof. D. Vollhardt,

Center for Electronic Correlations and Magnetism,
University of Augsburg, Germany

To answer the fundamental question posed in the title I will first discuss the concept of correlations in electronic systems. Then I introduce the state-of-the-art DFT+DMFT scheme, which combines density functional theory (DFT) with the many-body dynamical mean-field theory (DMFT), and explain how to compute the total energy of correlated materials within this approach. One finds that the lattice stability of many materials, including elemental Fe and FeSe (the simplest iron based superconductor), can be explained only if the local Coulomb repulsion between the electrons is explicitly included.