Effective bias and potentials in steady-state quantum transport : A NEGF reverse-engineering study
(2016) In Journal of Physics: Conference Series 696(1).- 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... (More)
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.
(Less)
- author
- Karlsson, Daniel and Verdozzi, Claudio LU
- organization
- publishing date
- 2016-04-12
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Journal of Physics: Conference Series
- volume
- 696
- issue
- 1
- article number
- 012018
- publisher
- IOP Publishing
- external identifiers
-
- scopus:84964892314
- wos:000389721800016
- ISSN
- 1742-6588
- DOI
- 10.1088/1742-6596/696/1/012018
- language
- English
- LU publication?
- yes
- id
- 0e4a3a2b-29cd-424c-a563-c801fd86428b
- date added to LUP
- 2016-10-03 10:19:18
- date last changed
- 2024-06-28 16:09:05
@article{0e4a3a2b-29cd-424c-a563-c801fd86428b,
abstract = {{<p>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.</p>}},
author = {{Karlsson, Daniel and Verdozzi, Claudio}},
issn = {{1742-6588}},
language = {{eng}},
month = {{04}},
number = {{1}},
publisher = {{IOP Publishing}},
series = {{Journal of Physics: Conference Series}},
title = {{Effective bias and potentials in steady-state quantum transport : A NEGF reverse-engineering study}},
url = {{http://dx.doi.org/10.1088/1742-6596/696/1/012018}},
doi = {{10.1088/1742-6596/696/1/012018}},
volume = {{696}},
year = {{2016}},
}