Calculation of the current response in a nanojunction for an arbitrary time-dependent bias:
application to the molecular wire
application to the molecular wire
File(s)
Published version
Author(s)
Ridley, M
MacKinnon, A
Kantorovich, L
Type
Conference Paper
Abstract
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Calculation of the current response in a nanojunction for an arbitrary time-dependent bias: application to the molecular wire
Michael Ridley1,2, Angus MacKinnon2 and Lev Kantorovich1
Published under licence by IOP Publishing Ltd
Journal of Physics: Conference Series, Volume 696, Number 1
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Abstract
Recently [Phys. Rev. B 91, 125433 (2015)] we derived a general formula for the time-dependent quantum electron current through a molecular junction subject to an arbitrary time-dependent bias within the Wide Band Limit Approximation (WBLA) and assuming a single particle Hamiltonian. Here we present an efficient numerical scheme for calculating the current and particle number. Using the Padé expansion of the Fermi function, it is shown that all frequency integrals occurring in the general formula for the current can be removed analytically. When the bias in the reservoirs is assumed to be sinusoidal it is possible to manipulate the general formula into a form containing only summations over special functions. To illustrate the method, we consider electron transport through a one-dimensional molecular wire coupled to two leads subject to out-of-phase biases. We also investigate finite size effects in the current response and particle number that result from the switch-on of this bias.
Calculation of the current response in a nanojunction for an arbitrary time-dependent bias: application to the molecular wire
Michael Ridley1,2, Angus MacKinnon2 and Lev Kantorovich1
Published under licence by IOP Publishing Ltd
Journal of Physics: Conference Series, Volume 696, Number 1
Article PDF
12 Total downloads
Export citation and abstract
BibTeX RIS
Share this article
Article information
Abstract
Recently [Phys. Rev. B 91, 125433 (2015)] we derived a general formula for the time-dependent quantum electron current through a molecular junction subject to an arbitrary time-dependent bias within the Wide Band Limit Approximation (WBLA) and assuming a single particle Hamiltonian. Here we present an efficient numerical scheme for calculating the current and particle number. Using the Padé expansion of the Fermi function, it is shown that all frequency integrals occurring in the general formula for the current can be removed analytically. When the bias in the reservoirs is assumed to be sinusoidal it is possible to manipulate the general formula into a form containing only summations over special functions. To illustrate the method, we consider electron transport through a one-dimensional molecular wire coupled to two leads subject to out-of-phase biases. We also investigate finite size effects in the current response and particle number that result from the switch-on of this bias.
Date Issued
2016-03
Date Acceptance
2016-02-09
Citation
Journal of Physics: Conference Series, 2016, 696 (1)
ISSN
1742-6588
Publisher
IOP Publishing: Conference Series
Journal / Book Title
Journal of Physics: Conference Series
Volume
696
Issue
1
Copyright Statement
Content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI.
License URL
Source
Progress in Non-equilibrium Green’s Functions (PNGF VI)
Subjects
02 Physical Sciences
09 Engineering
Publication Status
Published
Start Date
2015-08-17
Finish Date
2015-08-21
Coverage Spatial
Lund, Sweden