TY - JOUR

T1 - Thermo-electric effects in nanoscale systems out of equilibrium

AU - Dubi, Yonatan

AU - D'Agosta, Roberto

AU - di Ventra, Massimiliano

PY - 2008/3/1

Y1 - 2008/3/1

N2 - As technology advances into the nanoscale regime, probing the electronic
properties of nanoscale circuits has become a major challenge.
Specifically, it has been suggested that thermo-electric effects may
serve as a tool to study electronic properties of nanoscale systems, and
experiments on thermo-power in quantum point contacts (QPCs) and
molecular circuits have been performed. On the theoretical side,
however, linear-response theory is inadequate to determine the dynamical
formation of the thermo-electric effect. Here, we propose a novel scheme
to calculate dynamical thermo-electric effects in nanostructures
arbitrarily far from equilibrium using a local generalization of the
Lindblad master equation. We demonstrate the method by calculating the
charge imbalance of a QPC in the presence of Coulomb interactions and a
temperature gradients, and obtain the long-time energy distribution in
the QPC out of equilibrium. Our suggested scheme can be implemented into
stochastic time-dependent current-density functional theory [PRL, 98,
226403 (2007)], thus providing a valuable tool in studying the interplay
of charge and energy currents for arbitrary many-body systems.

AB - As technology advances into the nanoscale regime, probing the electronic
properties of nanoscale circuits has become a major challenge.
Specifically, it has been suggested that thermo-electric effects may
serve as a tool to study electronic properties of nanoscale systems, and
experiments on thermo-power in quantum point contacts (QPCs) and
molecular circuits have been performed. On the theoretical side,
however, linear-response theory is inadequate to determine the dynamical
formation of the thermo-electric effect. Here, we propose a novel scheme
to calculate dynamical thermo-electric effects in nanostructures
arbitrarily far from equilibrium using a local generalization of the
Lindblad master equation. We demonstrate the method by calculating the
charge imbalance of a QPC in the presence of Coulomb interactions and a
temperature gradients, and obtain the long-time energy distribution in
the QPC out of equilibrium. Our suggested scheme can be implemented into
stochastic time-dependent current-density functional theory [PRL, 98,
226403 (2007)], thus providing a valuable tool in studying the interplay
of charge and energy currents for arbitrary many-body systems.

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JO - American Physical Society, 2008 APS March Meeting, March 10-14, 2008

JF - American Physical Society, 2008 APS March Meeting, March 10-14, 2008

ER -