Effective bias and potentials in steady-state quantum transport : A NEGF reverse-engineering study
Karlsson, D., & Verdozzi, C. (2016). Effective bias and potentials in steady-state quantum transport : A NEGF reverse-engineering study. In Progress in Non-equilibrium Green’s Functions (PNGF VI) (Article 012018). Institute of Physics Publishing Ltd.. Journal of Physics: Conference Series, 696. https://doi.org/10.1088/1742-6596/696/1/012018
Julkaistu sarjassa
Journal of Physics: Conference SeriesPäivämäärä
2016Tekijänoikeudet
© Published under licence by IOP Publishing Ltd. This is an open access article distributed under the terms of the Creative Commons Attribution (CC BY) licence.
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-functionaltheory
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 densityfunctional-theory
based approaches to quantum transport.
...
Julkaisija
Institute of Physics Publishing Ltd.Konferenssi
Progress in Non-equilibrium Green's FunctionsKuuluu julkaisuun
Progress in Non-equilibrium Green’s Functions (PNGF VI)ISSN Hae Julkaisufoorumista
1742-6588Asiasanat
Julkaisu tutkimustietojärjestelmässä
https://converis.jyu.fi/converis/portal/detail/Publication/26140171
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