Non-equilibrium inhomogeneous DMFT for correlated Heterostructures

In this talk we present new developments of a recently introduced
[1] theoretical scheme to deal with correlated system out of equilibrium. This ap-
proach allows to efficiently investigate steady-state behavior of the system based
upon dynamical-mean-field theory (DMFT) within the nonequilibrium (Keldysh)
Green’s functions formalism [2]. The main novelty of the method is in the solution
of the impurity problem. Here the idea is that the baths coupled to the interacting
impurity are replaced by a finite number of bath sites coupled to Markovian reser-
voirs [1, 3]. Up to now the method has been applied to a single correlated layer
sandwiched between two metallic leads at different chemical potentials. Here we
show how to extend it to more complex geometries to treat more physically rele-
vant heterostructures. In particular we present results for the steady-state current,
spectral function and self-energy. First, we will review the case of a single corre-
lated layer and show the effect of the local Hubbard interaction and bias voltage
for weak and the intermediate hybridization strength to the leads. Afterwards we
present results for systems of particular interest, such as charge modulated super-
lattices, modulated doping close to the Mott insulator, and resonance effects.
[1] E. Arrigoni et al, Phys. Rev. Lett. 110, 086403 (2013). [2] J.K. Freericks, V.
M. Turkowski, and V. Zlatic, Phys. Rev. Lett. 97, 266408 (2006) [3] A. Dorda et
al, Phys. Rev. B. 89, 165105 (2014).