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Electron Transport in Carbon Nanotubes with Adsorbed Chromium Impurities

We employ Green’s function method for describing multiband models with magnetic impurities and apply the formalism to the problem of chromium impurities adsorbed onto a carbon nanotube. Density functional theory is used to determine the bandstructure, which is then fit to a tight-binding model to al...

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Autores principales: Repetsky, Stanislav, Vyshyvana, Iryna, Nakazawa, Yasuhiro, Kruchinin, Sergei, Bellucci, Stefano
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6384842/
https://www.ncbi.nlm.nih.gov/pubmed/30744176
http://dx.doi.org/10.3390/ma12030524
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author Repetsky, Stanislav
Vyshyvana, Iryna
Nakazawa, Yasuhiro
Kruchinin, Sergei
Bellucci, Stefano
author_facet Repetsky, Stanislav
Vyshyvana, Iryna
Nakazawa, Yasuhiro
Kruchinin, Sergei
Bellucci, Stefano
author_sort Repetsky, Stanislav
collection PubMed
description We employ Green’s function method for describing multiband models with magnetic impurities and apply the formalism to the problem of chromium impurities adsorbed onto a carbon nanotube. Density functional theory is used to determine the bandstructure, which is then fit to a tight-binding model to allow for the subsequent Green’s function description. Electron–electron interactions, electron–phonon coupling, and disorder scattering are all taken into account (perturbatively) with a theory that involves a cluster extension of the coherent potential approximation. We show how increasing the cluster size produces more accurate results and how the final calculations converge as a function of the cluster size. We examine the spin-polarized electrical current on the nanotube generated by the magnetic impurities adsorbed onto the nanotube surface. The spin polarization increases with both increasing concentration of chromium impurities and with increasing magnetic field. Its origin arises from the strong electron correlations generated by the Cr impurities.
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spelling pubmed-63848422019-02-23 Electron Transport in Carbon Nanotubes with Adsorbed Chromium Impurities Repetsky, Stanislav Vyshyvana, Iryna Nakazawa, Yasuhiro Kruchinin, Sergei Bellucci, Stefano Materials (Basel) Article We employ Green’s function method for describing multiband models with magnetic impurities and apply the formalism to the problem of chromium impurities adsorbed onto a carbon nanotube. Density functional theory is used to determine the bandstructure, which is then fit to a tight-binding model to allow for the subsequent Green’s function description. Electron–electron interactions, electron–phonon coupling, and disorder scattering are all taken into account (perturbatively) with a theory that involves a cluster extension of the coherent potential approximation. We show how increasing the cluster size produces more accurate results and how the final calculations converge as a function of the cluster size. We examine the spin-polarized electrical current on the nanotube generated by the magnetic impurities adsorbed onto the nanotube surface. The spin polarization increases with both increasing concentration of chromium impurities and with increasing magnetic field. Its origin arises from the strong electron correlations generated by the Cr impurities. MDPI 2019-02-10 /pmc/articles/PMC6384842/ /pubmed/30744176 http://dx.doi.org/10.3390/ma12030524 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 Article
Repetsky, Stanislav
Vyshyvana, Iryna
Nakazawa, Yasuhiro
Kruchinin, Sergei
Bellucci, Stefano
Electron Transport in Carbon Nanotubes with Adsorbed Chromium Impurities
title Electron Transport in Carbon Nanotubes with Adsorbed Chromium Impurities
title_full Electron Transport in Carbon Nanotubes with Adsorbed Chromium Impurities
title_fullStr Electron Transport in Carbon Nanotubes with Adsorbed Chromium Impurities
title_full_unstemmed Electron Transport in Carbon Nanotubes with Adsorbed Chromium Impurities
title_short Electron Transport in Carbon Nanotubes with Adsorbed Chromium Impurities
title_sort electron transport in carbon nanotubes with adsorbed chromium impurities
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6384842/
https://www.ncbi.nlm.nih.gov/pubmed/30744176
http://dx.doi.org/10.3390/ma12030524
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