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DF: Fachverband Dielektrische Festkörper

DF 9: Poster Session

DF 9.1: Poster

Dienstag, 21. März 2017, 14:00–16:00, P1C

Wave vector dependent dielectric function and ab initio materials physics — •René Wirnata¹, Ronald Starke¹, Giulio Schober², and Jens Kortus¹ — ¹Institut für Theoretische Physik, TU Freiberg — ²Institut für Theoretische Physik, Uni Heidelberg

We study the wave vector dependence of the dielectric function for a set of crystallographically simple materials (such as C, Si, AlP, GaAs, LiF in fcc structure). For this purpose, the FP-LAPW method in Density Functional Theory (DFT) has been combined with the Kubo formula in order to connect quantum mechanical ab initio calculations with quantities from classical electrodynamics. Conceptually, our work is motivated by the rising importance of modern microscopic approaches to electrodynamics in materials, which lead to universal though wave vector dependent response relations between different electromagnetic material properties.