Efficient auxiliary-mode approach for time-dependent nanoelectronics

A new scheme for numerically solving the equations arising in the time-dependent non-equilibrium Green's function formalism is developed. It is based on an auxiliary-mode expansion of the self-energies which convert the complicated set of integro-differential equations into a set of ordinary di...

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Main Authors: Bogdan Stefan Popescu, Alexander Croy
Format: Article
Language:English
Published: IOP Publishing 2016-01-01
Series:New Journal of Physics
Subjects:
Online Access:https://doi.org/10.1088/1367-2630/18/9/093044
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author Bogdan Stefan Popescu
Alexander Croy
author_facet Bogdan Stefan Popescu
Alexander Croy
author_sort Bogdan Stefan Popescu
collection DOAJ
description A new scheme for numerically solving the equations arising in the time-dependent non-equilibrium Green's function formalism is developed. It is based on an auxiliary-mode expansion of the self-energies which convert the complicated set of integro-differential equations into a set of ordinary differential equations. In the new scheme all auxiliary matrices are replaced by vectors or scalars. This drastically reduces the computational effort and memory requirements of the method, rendering it applicable to topical problems in electron quantum optics and molecular electronics. As an illustrative example we consider the dynamics of a Leviton wave-packet in a 1D wire.
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spelling doaj.art-36baea4301f7479ba9845430d25a5d092023-08-08T14:34:07ZengIOP PublishingNew Journal of Physics1367-26302016-01-0118909304410.1088/1367-2630/18/9/093044Efficient auxiliary-mode approach for time-dependent nanoelectronicsBogdan Stefan Popescu0Alexander Croy1Max Planck Institute for the Physics of Complex Systems , Nöthnitzer Str. 38, Dresden, GermanyMax Planck Institute for the Physics of Complex Systems , Nöthnitzer Str. 38, Dresden, GermanyA new scheme for numerically solving the equations arising in the time-dependent non-equilibrium Green's function formalism is developed. It is based on an auxiliary-mode expansion of the self-energies which convert the complicated set of integro-differential equations into a set of ordinary differential equations. In the new scheme all auxiliary matrices are replaced by vectors or scalars. This drastically reduces the computational effort and memory requirements of the method, rendering it applicable to topical problems in electron quantum optics and molecular electronics. As an illustrative example we consider the dynamics of a Leviton wave-packet in a 1D wire.https://doi.org/10.1088/1367-2630/18/9/093044time-dependent transportnanoelectronicsTDNEGFopen quantum systemsLevitons
spellingShingle Bogdan Stefan Popescu
Alexander Croy
Efficient auxiliary-mode approach for time-dependent nanoelectronics
New Journal of Physics
time-dependent transport
nanoelectronics
TDNEGF
open quantum systems
Levitons
title Efficient auxiliary-mode approach for time-dependent nanoelectronics
title_full Efficient auxiliary-mode approach for time-dependent nanoelectronics
title_fullStr Efficient auxiliary-mode approach for time-dependent nanoelectronics
title_full_unstemmed Efficient auxiliary-mode approach for time-dependent nanoelectronics
title_short Efficient auxiliary-mode approach for time-dependent nanoelectronics
title_sort efficient auxiliary mode approach for time dependent nanoelectronics
topic time-dependent transport
nanoelectronics
TDNEGF
open quantum systems
Levitons
url https://doi.org/10.1088/1367-2630/18/9/093044
work_keys_str_mv AT bogdanstefanpopescu efficientauxiliarymodeapproachfortimedependentnanoelectronics
AT alexandercroy efficientauxiliarymodeapproachfortimedependentnanoelectronics