Berlin 2015 – wissenschaftliches Programm

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SYME: Symposium Frontiers of Electronic Structure Theory: Many-body Effects on the Nano-Scale

SYME 3: Frontiers of Electronic Structure Theory: Many-Body Effects on the Nano-Scale II

SYME 3.1: Hauptvortrag

Dienstag, 17. März 2015, 14:00–14:30, MA 004

First-principles theories of electron-plasmon and electron-spin fluctuation interactions in nanomaterials — •Johannes Lischner — Imperial College, London, United Kingdom

The GW method includes an accurate treatment of many-electron interaction effects beyond density-functional theory and is the state-of-the-art approach for computing spectral functions and quasiparticle energies in nanomaterials. These quantities are measured in photoemission and tunneling experiments. Despite its great success, the GW approach has certain shortcomings and I will discuss two topics that require going beyond GW: i) plasmon satellites in spectral functions and ii) the coupling of quasiparticles to spin fluctuations.

Plasmon satellites in recent photoemission experiments on doped graphene have been interpreted in terms of novel plasmaron excitations, strongly coupled plasmon-hole states, predicted by GW theory. Using a cumulant expansion of the Green's function to include higher-order electron-electron interaction effects and an accurate description of the substrate, I will demonstrate that no plasmaron states need to be invoked to explain the experiments. Similar conclusions are drawn for tunneling spectra of semiconductor quantum-well two-dimensional electron gases. I will also discuss the interaction of quasiparticles with spin fluctuations in iron selenide and demonstrate that significant coupling constants can give rise to superconducting transition temperatures consistent with experimental findings.