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

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Bibtex

@article{0e4a3a2b29cd424ca563c801fd86428b,
title = "Effective bias and potentials in steady-state quantum transport: A NEGF reverse-engineering study",
abstract = "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.",
author = "Daniel Karlsson and Claudio Verdozzi",
year = "2016",
month = "4",
day = "12",
doi = "10.1088/1742-6596/696/1/012018",
language = "English",
volume = "696",
journal = "Journal of Physics: Conference Series",
issn = "1742-6596",
publisher = "IOP Publishing",
number = "1",

}