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Dissipative non-equilibrium Green function methodology to treat short range Coulomb interaction: current through a 1D nanostructure

Antonio Martinez, John R Barker, Riccardo Di Pietro, Antonio Martinez Muniz Orcid Logo

Journal of Physics: Condensed Matter, Volume: 30, Issue: 29, Start page: 294003

Swansea University Author: Antonio Martinez Muniz Orcid Logo

Abstract

A methodology describing Coulomb blockade in the non-equilibrium Green function formalism is presented. We carried out ballistic and dissipative simulations through a 1D quantum dot using an Einstein phonon model. Inelastic phonons with different energies have been considered. The methodology incorp...

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Published in: Journal of Physics: Condensed Matter
ISSN: 0953-8984 1361-648X
Published: 2018
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URI: https://cronfa.swan.ac.uk/Record/cronfa41065
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spelling 2021-06-01T09:53:35.5331262 v2 41065 2018-07-19 Dissipative non-equilibrium Green function methodology to treat short range Coulomb interaction: current through a 1D nanostructure cd433784251add853672979313f838ec 0000-0001-8131-7242 Antonio Martinez Muniz Antonio Martinez Muniz true false 2018-07-19 EEEG A methodology describing Coulomb blockade in the non-equilibrium Green function formalism is presented. We carried out ballistic and dissipative simulations through a 1D quantum dot using an Einstein phonon model. Inelastic phonons with different energies have been considered. The methodology incorporates the short-range Coulomb interaction between two electrons through the use of a two-particle Green function. Unlike previous work, the quantum dot has spatial resolution i.e. it is not just parameterized by the energy level and coupling constants of the dot. Our method intends to describe the effect of electron localization while maintaining an open boundary or extended wave function. The formalism conserves the current through the nanostructure. A simple 1D model is used to explain the increase of mobility in semi-crystalline polymers as a function of the electron concentration. The mechanism suggested is based on the lifting of energy levels into the transmission window as a result of the local electron–electron repulsion inside a crystalline domain. The results are aligned with recent experimental findings. Finally, as a proof of concept, we present a simulation of a low temperature resonant structure showing the stability diagram in the Coulomb blockade regime. Journal Article Journal of Physics: Condensed Matter 30 29 294003 0953-8984 1361-648X 31 12 2018 2018-12-31 10.1088/1361-648X/aacc49 COLLEGE NANME Electronic and Electrical Engineering COLLEGE CODE EEEG Swansea University 2021-06-01T09:53:35.5331262 2018-07-19T09:27:22.2558752 College of Engineering Engineering Antonio Martinez 1 John R Barker 2 Riccardo Di Pietro 3 Antonio Martinez Muniz 0000-0001-8131-7242 4 0041065-20072018133619.pdf martinez2018.pdf 2018-07-20T13:36:19.2830000 Output 5944424 application/pdf Accepted Manuscript true 2019-06-13T00:00:00.0000000 true eng
title Dissipative non-equilibrium Green function methodology to treat short range Coulomb interaction: current through a 1D nanostructure
spellingShingle Dissipative non-equilibrium Green function methodology to treat short range Coulomb interaction: current through a 1D nanostructure
Antonio Martinez Muniz
title_short Dissipative non-equilibrium Green function methodology to treat short range Coulomb interaction: current through a 1D nanostructure
title_full Dissipative non-equilibrium Green function methodology to treat short range Coulomb interaction: current through a 1D nanostructure
title_fullStr Dissipative non-equilibrium Green function methodology to treat short range Coulomb interaction: current through a 1D nanostructure
title_full_unstemmed Dissipative non-equilibrium Green function methodology to treat short range Coulomb interaction: current through a 1D nanostructure
title_sort Dissipative non-equilibrium Green function methodology to treat short range Coulomb interaction: current through a 1D nanostructure
author_id_str_mv cd433784251add853672979313f838ec
author_id_fullname_str_mv cd433784251add853672979313f838ec_***_Antonio Martinez Muniz
author Antonio Martinez Muniz
author2 Antonio Martinez
John R Barker
Riccardo Di Pietro
Antonio Martinez Muniz
format Journal article
container_title Journal of Physics: Condensed Matter
container_volume 30
container_issue 29
container_start_page 294003
publishDate 2018
institution Swansea University
issn 0953-8984
1361-648X
doi_str_mv 10.1088/1361-648X/aacc49
college_str College of Engineering
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hierarchy_top_id collegeofengineering
hierarchy_top_title College of Engineering
hierarchy_parent_id collegeofengineering
hierarchy_parent_title College of Engineering
department_str Engineering{{{_:::_}}}College of Engineering{{{_:::_}}}Engineering
document_store_str 1
active_str 0
description A methodology describing Coulomb blockade in the non-equilibrium Green function formalism is presented. We carried out ballistic and dissipative simulations through a 1D quantum dot using an Einstein phonon model. Inelastic phonons with different energies have been considered. The methodology incorporates the short-range Coulomb interaction between two electrons through the use of a two-particle Green function. Unlike previous work, the quantum dot has spatial resolution i.e. it is not just parameterized by the energy level and coupling constants of the dot. Our method intends to describe the effect of electron localization while maintaining an open boundary or extended wave function. The formalism conserves the current through the nanostructure. A simple 1D model is used to explain the increase of mobility in semi-crystalline polymers as a function of the electron concentration. The mechanism suggested is based on the lifting of energy levels into the transmission window as a result of the local electron–electron repulsion inside a crystalline domain. The results are aligned with recent experimental findings. Finally, as a proof of concept, we present a simulation of a low temperature resonant structure showing the stability diagram in the Coulomb blockade regime.
published_date 2018-12-31T03:55:30Z
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score 10.900683