A new expression for the conductance of quantum junctions within interacting {\it ab-initio} approaches

ORAL

Abstract

We present a new expression for the conductance of a quantum junction~[1] that is both physically appealing and numerically adventageous. First, it shows that conductance represents a strength of the Drude singularity of the conductivity $\sigma(k,k';i\omega)$ and properly accounts for the experimental bias that results from the total field. The numerical advantage comes from the fact that instead of the current-current correlation function it is expressed in terms of density-density response which is far easier to evaluate. If formulated within time-dependent density-functional theory, it explicitly uses the exchange-correlation kernel $f_{xc}$ or, when used within many-body perturbation theory, it makes use of the irreducible polarisation function $P(k,k';i\omega)$. We will present its numerical implementation for a model metal-vacuum-metal interface. \\ \noindent [1] P. Bokes and R. W. Godby, Phys. Rev. B 69, 245420 (2004).

Authors

  • Peter Bokes

    Department of Physics, Slovak University of Technology (FEISTU), Ilkovicova 3, 841 04 Bratislava, Slovakia, Department of Physics, Slovak University of Technology (FEI STU), Ilkovicova 3, 841 04 Bratislava, Slovakia

  • Rex Godby

    Department of Physics, University of York, Heslington, York YO10 5DD, United Kingdom, Department of Physics, University of York, Heslington, York YO10 5DD, U.K.