Modeling time-dependent current through electronic open channels using a mixed time-frequency solution to the electronic equations of motion

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Alexander Prociuk and Barry D. Dunietz
The University of Michigan, Ann Arbor, Michigan 48109, USA

Received 23 February 2008; revised 20 July 2008; published 14 October 2008

Anonequilibrium Green's function model based on time-dependent perturbation theory isdeveloped to propagate electronic structure and molecular conductance of extendedelectrode-molecule-electrode nanostructures. In this model, we use the two-time variablenature of the Kadanoff-Baym equations of motion to formulate amixed time-frequency representation for the electronic density expressed by theappropriate Green's function (G^<). This allows for the dynamical treatmentof open systems. Furthermore, highly informative time-dependent Wigner distributions areused to shed light on the features of dynamical observables,such as electron current. Calculations, performed on model systems, resolvethe dynamic current into direct and alternating components. The directcurrent is due to electronic open channels near the Fermilevel and the alternating response is due to interference fringesfrom a superposition of extended states. We analyze the transientconductance with respect to the fundamental system's parameters, the effectof bound states, and the conductance driven by laser-induced coherenceaffected by detuning due to an applied dc bias. Theamplitude of the alternating transient current can be adjusted byreshaping the bias pulse or by controlling the electronic couplingterms. Bound states may yield a persisting oscillating response dependingon their relative electronic densities. In the analysis we utilizethe calculated highly informative time-dependent current distributions.

URL:	http://link.aps.org/doi/10.1103/PhysRevB.78.165112
DOI:	10.1103/PhysRevB.78.165112
PACS:	73.23.-b; 73.40.-c; 73.63.-b; 85.35.Ds 73.23.-b Electronic transport in mesoscopic systems 73.40.-c Electronic transport in interface structures 73.63.-b Electronic transport in nanoscale materials and structures 85.35.Ds Quantum interference devices YEAR: 2008
KEYWORDS:	bound states, electric admittance, electrodes, electronic density of states, electronic structure, Fermi level, Green's function methods, nanostructured materials, perturbation theory, Wigner distribution

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