Berlin 2018 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 55: Focus Session: Frontiers of Electronic-Structure Theory: Correlated Electron Materials V (joint session O/MM/DS/TT/CPP)

CPP 55.6: Talk

Wednesday, March 14, 2018, 16:30–16:45, HL 001

Diagnostics for plasmon satellites and Hubbard bands in transition metal oxides — •Steffen Backes¹, Hong Jiang², and Silke Biermann¹ — ¹Centre de Physique Théorique, École Polytechnique, 91128 Palaiseau, France — ²College of Chemistry and Molecular Engineering, Peking University, China

The generally accepted picture of SrVO₃ is that of a correlated electron metal where a renormalized quasi-particle peak at the Fermi level coexists with upper and lower Hubbard bands, separated by Coulomb interaction U. Recently, this picture has become blurred with the rise in interest in additional plasmonic satellites. Distinguishing plasmonic features from Hubbard bands is a non-trivial question. In this talk we employ combined many-body perturbation theory and dynamical mean field theory ("GW+DMFT") to discuss the processes that give rise to these different satellites and show how to identify their origin in realistic materials. We present an application of this scheme to different transition metal oxides, which we find to exhibit both Hubbard and plasmonic satellites at similar energetic positions.