The impact of Fe atom on the spin-filter and spin thermoelectric properties of Au-Fe@C(20)-Au monomer and dimer systems

Based on density functional theory and non-equilibrium Green’s function formalism, we explore the effect of Fe atom in Au-Fe@C(20)-Au monomer and dimer systems in comparison with the C(20) fullerene molecular junctions. We calculate the spin-dependent transmission coefficient, spin polarization and...

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Autores principales: Khalatbari, H., Vishkayi, S. Izadi, Soleimani, H. Rahimpour
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7713250/
https://www.ncbi.nlm.nih.gov/pubmed/33273540
http://dx.doi.org/10.1038/s41598-020-78111-w
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author Khalatbari, H.
Vishkayi, S. Izadi
Soleimani, H. Rahimpour
author_facet Khalatbari, H.
Vishkayi, S. Izadi
Soleimani, H. Rahimpour
author_sort Khalatbari, H.
collection PubMed
description Based on density functional theory and non-equilibrium Green’s function formalism, we explore the effect of Fe atom in Au-Fe@C(20)-Au monomer and dimer systems in comparison with the C(20) fullerene molecular junctions. We calculate the spin-dependent transmission coefficient, spin polarization and also their spin thermoelectric coefficients to investigate magnetic properties in the system. Our results indicate that the presence of Fe atoms enhances substantially the spin-filter and increases the spin figure of merit in the dimer system. We suggest that the Au-(Fe@C(20))(2)-Au system is a suitable junction for designing spin-filtering and spin thermoelectric devices and eventually it is a good candidate for spintronic applications.
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spelling pubmed-77132502020-12-03 The impact of Fe atom on the spin-filter and spin thermoelectric properties of Au-Fe@C(20)-Au monomer and dimer systems Khalatbari, H. Vishkayi, S. Izadi Soleimani, H. Rahimpour Sci Rep Article Based on density functional theory and non-equilibrium Green’s function formalism, we explore the effect of Fe atom in Au-Fe@C(20)-Au monomer and dimer systems in comparison with the C(20) fullerene molecular junctions. We calculate the spin-dependent transmission coefficient, spin polarization and also their spin thermoelectric coefficients to investigate magnetic properties in the system. Our results indicate that the presence of Fe atoms enhances substantially the spin-filter and increases the spin figure of merit in the dimer system. We suggest that the Au-(Fe@C(20))(2)-Au system is a suitable junction for designing spin-filtering and spin thermoelectric devices and eventually it is a good candidate for spintronic applications. Nature Publishing Group UK 2020-12-03 /pmc/articles/PMC7713250/ /pubmed/33273540 http://dx.doi.org/10.1038/s41598-020-78111-w Text en © The Author(s) 2020 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/.
spellingShingle Article
Khalatbari, H.
Vishkayi, S. Izadi
Soleimani, H. Rahimpour
The impact of Fe atom on the spin-filter and spin thermoelectric properties of Au-Fe@C(20)-Au monomer and dimer systems
title The impact of Fe atom on the spin-filter and spin thermoelectric properties of Au-Fe@C(20)-Au monomer and dimer systems
title_full The impact of Fe atom on the spin-filter and spin thermoelectric properties of Au-Fe@C(20)-Au monomer and dimer systems
title_fullStr The impact of Fe atom on the spin-filter and spin thermoelectric properties of Au-Fe@C(20)-Au monomer and dimer systems
title_full_unstemmed The impact of Fe atom on the spin-filter and spin thermoelectric properties of Au-Fe@C(20)-Au monomer and dimer systems
title_short The impact of Fe atom on the spin-filter and spin thermoelectric properties of Au-Fe@C(20)-Au monomer and dimer systems
title_sort impact of fe atom on the spin-filter and spin thermoelectric properties of au-fe@c(20)-au monomer and dimer systems
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7713250/
https://www.ncbi.nlm.nih.gov/pubmed/33273540
http://dx.doi.org/10.1038/s41598-020-78111-w
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