Regensburg 2019 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 43: Frontiers of Electronic-Structure Theory: Focus on the Interface Challenge VI (joint session O/CPP/DS/TT)

CPP 43.2: Talk

Wednesday, April 3, 2019, 15:15–15:30, H9

Density functional theory for transport through correlated systems — •Stefan Kurth — Univ. of the Basque Country UPV/EHU, San Sebastian, Spain — IKERBASQUE, Basque Foundation for Science, Bilbao, Spain — Donostia International Physics Center DIPC, San Sebastian, Spain

A recently proposed density functional formalism to describe electronic transport through correlated systems in the steady state uses both the density on the junction and the steady current as basic variables. The corresponding Kohn-Sham system features two exchange-correlation (xc) potentials, a local xc potential and an xc contribution to the bias, which are universal functionals of the basic variables.

A recent parametrization of the xc potentials for the single-impurity Anderson model correctly incorporates both the Kondo and Coulomb blockade regimes. It allows for calculation of currents and differential conductances at arbitrary bias and temperature at negligible numerical cost but with the accuracy of sophisticated renormalization group methods. A time-local version of this functional is used to study the Anderson model under the influence of both DC and AC biases. We observe interaction-induced shifts of the photon-assisted conductance peaks, supression of the Kondo plateau at zero temperature and lifting of Coulomb blockade at finite temperature.