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Quantum Treatment of Inelastic Interactions for the Modeling of Nanowire Field-Effect Transistors
During the last decades, the Nonequilibrium Green’s function (NEGF) formalism has been proposed to develop nano-scaled device-simulation tools since it is especially convenient to deal with open device systems on a quantum-mechanical base and allows the treatment of inelastic scattering. In particul...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6981954/ https://www.ncbi.nlm.nih.gov/pubmed/31877686 http://dx.doi.org/10.3390/ma13010060 |
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author | Lee, Youseung Logoteta, Demetrio Cavassilas, Nicolas Lannoo, Michel Luisier, Mathieu Bescond, Marc |
author_facet | Lee, Youseung Logoteta, Demetrio Cavassilas, Nicolas Lannoo, Michel Luisier, Mathieu Bescond, Marc |
author_sort | Lee, Youseung |
collection | PubMed |
description | During the last decades, the Nonequilibrium Green’s function (NEGF) formalism has been proposed to develop nano-scaled device-simulation tools since it is especially convenient to deal with open device systems on a quantum-mechanical base and allows the treatment of inelastic scattering. In particular, it is able to account for inelastic effects on the electronic and thermal current, originating from the interactions of electron–phonon and phonon–phonon, respectively. However, the treatment of inelastic mechanisms within the NEGF framework usually relies on a numerically expensive scheme, implementing the self-consistent Born approximation (SCBA). In this article, we review an alternative approach, the so-called Lowest Order Approximation (LOA), which is realized by a rescaling technique and coupled with Padé approximants, to efficiently model inelastic scattering in nanostructures. Its main advantage is to provide a numerically efficient and physically meaningful quantum treatment of scattering processes. This approach is successfully applied to the three-dimensional (3D) atomistic quantum transport OMEN code to study the impact of electron–phonon and anharmonic phonon–phonon scattering in nanowire field-effect transistors. A reduction of the computational time by about ×6 for the electronic current and ×2 for the thermal current calculation is obtained. We also review the possibility to apply the first-order Richardson extrapolation to the Padé N/N − 1 sequence in order to accelerate the convergence of divergent LOA series. More in general, the reviewed approach shows the potentiality to significantly and systematically lighten the computational burden associated to the atomistic quantum simulations of dissipative transport in realistic 3D systems. |
format | Online Article Text |
id | pubmed-6981954 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-69819542020-02-07 Quantum Treatment of Inelastic Interactions for the Modeling of Nanowire Field-Effect Transistors Lee, Youseung Logoteta, Demetrio Cavassilas, Nicolas Lannoo, Michel Luisier, Mathieu Bescond, Marc Materials (Basel) Review During the last decades, the Nonequilibrium Green’s function (NEGF) formalism has been proposed to develop nano-scaled device-simulation tools since it is especially convenient to deal with open device systems on a quantum-mechanical base and allows the treatment of inelastic scattering. In particular, it is able to account for inelastic effects on the electronic and thermal current, originating from the interactions of electron–phonon and phonon–phonon, respectively. However, the treatment of inelastic mechanisms within the NEGF framework usually relies on a numerically expensive scheme, implementing the self-consistent Born approximation (SCBA). In this article, we review an alternative approach, the so-called Lowest Order Approximation (LOA), which is realized by a rescaling technique and coupled with Padé approximants, to efficiently model inelastic scattering in nanostructures. Its main advantage is to provide a numerically efficient and physically meaningful quantum treatment of scattering processes. This approach is successfully applied to the three-dimensional (3D) atomistic quantum transport OMEN code to study the impact of electron–phonon and anharmonic phonon–phonon scattering in nanowire field-effect transistors. A reduction of the computational time by about ×6 for the electronic current and ×2 for the thermal current calculation is obtained. We also review the possibility to apply the first-order Richardson extrapolation to the Padé N/N − 1 sequence in order to accelerate the convergence of divergent LOA series. More in general, the reviewed approach shows the potentiality to significantly and systematically lighten the computational burden associated to the atomistic quantum simulations of dissipative transport in realistic 3D systems. MDPI 2019-12-21 /pmc/articles/PMC6981954/ /pubmed/31877686 http://dx.doi.org/10.3390/ma13010060 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Review Lee, Youseung Logoteta, Demetrio Cavassilas, Nicolas Lannoo, Michel Luisier, Mathieu Bescond, Marc Quantum Treatment of Inelastic Interactions for the Modeling of Nanowire Field-Effect Transistors |
title | Quantum Treatment of Inelastic Interactions for the Modeling of Nanowire Field-Effect Transistors |
title_full | Quantum Treatment of Inelastic Interactions for the Modeling of Nanowire Field-Effect Transistors |
title_fullStr | Quantum Treatment of Inelastic Interactions for the Modeling of Nanowire Field-Effect Transistors |
title_full_unstemmed | Quantum Treatment of Inelastic Interactions for the Modeling of Nanowire Field-Effect Transistors |
title_short | Quantum Treatment of Inelastic Interactions for the Modeling of Nanowire Field-Effect Transistors |
title_sort | quantum treatment of inelastic interactions for the modeling of nanowire field-effect transistors |
topic | Review |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6981954/ https://www.ncbi.nlm.nih.gov/pubmed/31877686 http://dx.doi.org/10.3390/ma13010060 |
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