Dresden 2017 – wissenschaftliches Programm
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HL: Fachverband Halbleiterphysik
HL 67: Perovskites, Hybrid Photovoltaics and Plasmonics
HL 67.1: Vortrag
Donnerstag, 23. März 2017, 09:30–09:45, POT 81
Analytical representation of dynamical quantities in GW from a matrix resolvent — •Jan Gesenhues1, Dmitrii Nabok2, Michael Rohlfing1, and Claudia Draxl2 — 1Institut für Festkörpertheorie, Westfälische Wilhelms-Universität, 48149 Münster, Germany — 2Theoretische Festkörperphysik, Humboldt-Universität zu Berlin, 12489 Berlin, Germany
A common problem in GW calculations is the treatment of the energy dependence of the screened coulomb interaction W. While the state of the art approach is the contour deformation technique, plasmon-pole models are often employed to allow for an analytical frequency convolution in calculating GW. In this talk we discuss a third alternative, which calculates the frequency dependent screening by determining the resolvent, which is set up from a matrix representation of the dielectric function. On the one hand this poses great educational insight into the topic, because it refrains from a numerical frequency convolution and allows one to actually write down the frequency dependence of W. On the other hand, the approach enables the exact description of plasmonic features in the spectral function, since it goes beyond plasmon-pole models. We present results for common materials and discuss some of the issues that appear when dealing with the spectral function (i.e. Im G(ω)).