"Role of non-local correlations and screening in 3d systems: The GW+EDMFT approach"
by
Fredrik Nilsson, Lund University
→
Europe/Berlin
Room 222 (Jungiusstr. 9)
Room 222
Jungiusstr. 9
Description
Materials with strong electron-electron correlations exhibit many intriguing properties such as high Tc superconductivity, Mott metal to insulator transition, colossal magnetoresistance etc. These materials are typically simulated using a combination of density functional theory and dynamical mean-field theory (DFT+DMFT), which includes a non-perturbative treatment of the strong local correlations but the long-range correlations are omitted. In this talk I will discuss the multitier GW+EDMFT method, a parameter-free first-principles method with a self-consistent treatment of both long-range and short-range correlations. Using the cubic perovskites SrVO3 and SrMoO3 as examples I will show that the influence of the long-range correlations on the simulation results can be profound and can even change the physical interpretation of the spectra.
