Effective bias and potentials in steady-state quantum transport: A NEGF reverse-engineering study

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Effective bias and potentials in steady-state quantum transport : A NEGF reverse-engineering study. / Karlsson, Daniel; Verdozzi, Claudio.

I: Journal of Physics: Conference Series, Vol. 696, Nr. 1, 012018, 12.04.2016.

Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

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TY - JOUR

T1 - Effective bias and potentials in steady-state quantum transport

T2 - A NEGF reverse-engineering study

AU - Karlsson, Daniel

AU - Verdozzi, Claudio

PY - 2016/4/12

Y1 - 2016/4/12

N2 - Using non-equilibrium Green's functions combined with many-body perturbation theory, we have calculated steady-state densities and currents through short interacting chains subject to a finite electric bias. By using a steady-state reverse-engineering procedure, the effective potential and bias which reproduce such densities and currents in a non-interacting system have been determined. The role of the effective bias is characterised with the aid of the so-called exchange-correlation bias, recently introduced in a steady-state density-functional- theory formulation for partitioned systems. We find that the effective bias (or, equivalently, the exchange-correlation bias) depends strongly on the interaction strength and the length of the central (chain) region. Moreover, it is rather sensitive to the level of many-body approximation used. Our study shows the importance of the effective/exchange-correlation bias out of equilibrium, thereby offering hints on how to improve the description of density- functional-theory based approaches to quantum transport.

AB - Using non-equilibrium Green's functions combined with many-body perturbation theory, we have calculated steady-state densities and currents through short interacting chains subject to a finite electric bias. By using a steady-state reverse-engineering procedure, the effective potential and bias which reproduce such densities and currents in a non-interacting system have been determined. The role of the effective bias is characterised with the aid of the so-called exchange-correlation bias, recently introduced in a steady-state density-functional- theory formulation for partitioned systems. We find that the effective bias (or, equivalently, the exchange-correlation bias) depends strongly on the interaction strength and the length of the central (chain) region. Moreover, it is rather sensitive to the level of many-body approximation used. Our study shows the importance of the effective/exchange-correlation bias out of equilibrium, thereby offering hints on how to improve the description of density- functional-theory based approaches to quantum transport.

UR - http://www.scopus.com/inward/record.url?scp=84964892314&partnerID=8YFLogxK

U2 - 10.1088/1742-6596/696/1/012018

DO - 10.1088/1742-6596/696/1/012018

M3 - Article

VL - 696

JO - Journal of Physics: Conference Series

JF - Journal of Physics: Conference Series

SN - 1742-6596

IS - 1

M1 - 012018

ER -