Kubo formula for open finite-size systems

Department of Physics and Astronomy, University of British Columbia - Vancouver, BC, Canada, V6T 1Z1

Received: 16 July 2010
Accepted: 14 October 2010

Abstract

We derive a Kubo-type formula that describes proper non-equilibrium stationary states for finite-size systems. We first argue that the usual Kubo formula considers only equilibrium states of the perturbed system, which are inappropriate to describe transport properties. Moreover, we show that the standard Kubo formula for the dc conductance is only appropriate in the thermodynamic limit. We demonstrate that taking into consideration explicitly the coupling to the leads/baths solves both problems. This approach results in well-behaved response functions, without the singular contributions from degenerate states encountered when Kubo formulae for infinite-size systems are inappropriately used for finite-size systems. We also derive a second, more efficient formulation which is valid only for a set of special physical quantities, which includes the charge current density operator.