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Tailoring magnetism in silicon-doped zigzag graphene edges

Recently, the edges of single-layer graphene have been experimentally doped with silicon atoms by means of scanning transmission electron microscopy. In this work, density functional theory is applied to model and characterize a wide range of experimentally inspired silicon doped zigzag-type graphen...

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Autores principales: Ugartemendia, Andoni, Garcia−Lekue, Aran, Jimenez−Izal, Elisa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9338279/
https://www.ncbi.nlm.nih.gov/pubmed/35906454
http://dx.doi.org/10.1038/s41598-022-16902-z
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author Ugartemendia, Andoni
Garcia−Lekue, Aran
Jimenez−Izal, Elisa
author_facet Ugartemendia, Andoni
Garcia−Lekue, Aran
Jimenez−Izal, Elisa
author_sort Ugartemendia, Andoni
collection PubMed
description Recently, the edges of single-layer graphene have been experimentally doped with silicon atoms by means of scanning transmission electron microscopy. In this work, density functional theory is applied to model and characterize a wide range of experimentally inspired silicon doped zigzag-type graphene edges. The thermodynamic stability is assessed and the electronic and magnetic properties of the most relevant edge configurations are unveiled. Importantly, we show that silicon doping of graphene edges can induce a reversion of the spin orientation on the adjacent carbon atoms, leading to novel magnetic properties with possible applications in the field of spintronics.
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spelling pubmed-93382792022-07-31 Tailoring magnetism in silicon-doped zigzag graphene edges Ugartemendia, Andoni Garcia−Lekue, Aran Jimenez−Izal, Elisa Sci Rep Article Recently, the edges of single-layer graphene have been experimentally doped with silicon atoms by means of scanning transmission electron microscopy. In this work, density functional theory is applied to model and characterize a wide range of experimentally inspired silicon doped zigzag-type graphene edges. The thermodynamic stability is assessed and the electronic and magnetic properties of the most relevant edge configurations are unveiled. Importantly, we show that silicon doping of graphene edges can induce a reversion of the spin orientation on the adjacent carbon atoms, leading to novel magnetic properties with possible applications in the field of spintronics. Nature Publishing Group UK 2022-07-29 /pmc/articles/PMC9338279/ /pubmed/35906454 http://dx.doi.org/10.1038/s41598-022-16902-z Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Ugartemendia, Andoni
Garcia−Lekue, Aran
Jimenez−Izal, Elisa
Tailoring magnetism in silicon-doped zigzag graphene edges
title Tailoring magnetism in silicon-doped zigzag graphene edges
title_full Tailoring magnetism in silicon-doped zigzag graphene edges
title_fullStr Tailoring magnetism in silicon-doped zigzag graphene edges
title_full_unstemmed Tailoring magnetism in silicon-doped zigzag graphene edges
title_short Tailoring magnetism in silicon-doped zigzag graphene edges
title_sort tailoring magnetism in silicon-doped zigzag graphene edges
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9338279/
https://www.ncbi.nlm.nih.gov/pubmed/35906454
http://dx.doi.org/10.1038/s41598-022-16902-z
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