Dresden 2014 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 36: Posters: Bio/organic Molecules on Surfaces, Graphene, Solid/liquid interfaces, Metal Substrates, Electronic Structure Theory
O 36.86: Poster
Dienstag, 1. April 2014, 18:30–22:00, P1
Inelastic electron-phonon interaction: towards first principle calculations — •Florian Rittweger1, Nicki F. Hinsche2, and Ingrid Mertig1,2 — 1Max-Planck-Institut für Mikrostrukturphysik, Weinberg 2, DE-06120 Halle — 2Martin-Luther-Universität, Institut für Physik, Von-Seckendorff-Platz 1, DE-06120 Halle
The many-body effect of the electron-phonon interaction is under investigation for a long time due to its basic influence on the phenomena of superconductivity.
While experimental access is given by ARPES measurements, the theoretical studies are related to the computation of the complex electron-phonon self-energy. Within this approach the renormalization of the electronic band structure and the finite lifetime τ of the states can be determined and the electron-phonon coupling strength λ can be obtained. Usually the calculations of τ, λ, etc. are done assuming a quasi-elastic scattering process, i.e. only states on the Fermi surface are considered. Within this conventional approach, phenomena like the phonon drag contribution to thermopower, can not be reproduced by first principle calculations.
Going beyond the quasi-elastic assumption we investigate the inelastic electron-phonon interaction using linear response density functional perturbation theory to study the impact on τ, λ and transport properties like the electrical conductivity, thermal conductivity and the thermopower. First results and discussions involving simple metals, i.e. Al and Cu, will be presented.