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Influence of Interconfigurational Electronic States on Fe, Co, Ni-Silicene Materials Selection for Spintronics
Growth through controlled adsorption of ferromagnetic elements such as Fe, Co and Ni on two-dimensional silicene provides an alternative route for silicon-based spintronics. Plane wave DFT calculations show that Fe, Co and Ni adatoms are strongly chemisorbed via strong sigma bonds, with adsorption e...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4274514/ https://www.ncbi.nlm.nih.gov/pubmed/25534484 http://dx.doi.org/10.1038/srep07594 |
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author | Johll, Harman Lee, Michael Dao Kang Ng, Sean Peng Nam Kang, Hway Chuan Tok, Eng Soon |
author_facet | Johll, Harman Lee, Michael Dao Kang Ng, Sean Peng Nam Kang, Hway Chuan Tok, Eng Soon |
author_sort | Johll, Harman |
collection | PubMed |
description | Growth through controlled adsorption of ferromagnetic elements such as Fe, Co and Ni on two-dimensional silicene provides an alternative route for silicon-based spintronics. Plane wave DFT calculations show that Fe, Co and Ni adatoms are strongly chemisorbed via strong sigma bonds, with adsorption energies (1.55 - 2.29 eV) that are two to six times greater compared to adsorption on graphene. All adatoms adsorb more strongly at the hole site than at the atom site, with Ni adsorbing strongest. Of the dimer configurations investigated, the hole – hole, b-atom – hole, vertically stacked at hole, vertically stacked at b-atom and bridge sites were found to be stable. The Co and Ni dimers are most stable when adsorbed in the hole-hole configuration while the Fe dimer is most stable when adsorbed in the atom-hole configuration. Metal-to-silicene and interconfigurational s-to-d electron transfer processes underpin the trends observed in adsorption energies and magnetic moments for both adatoms and dimers. Adsorption of these metals induces a small band gap at the Dirac Cone. In particular Co adatom adsorption at the hole site induces the largest spin-polarized band gaps of 0.70 eV (spin-up) and 0.28 eV (spin-down) making it a potential material candidate for spintronics applications. |
format | Online Article Text |
id | pubmed-4274514 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | Nature Publishing Group |
record_format | MEDLINE/PubMed |
spelling | pubmed-42745142014-12-29 Influence of Interconfigurational Electronic States on Fe, Co, Ni-Silicene Materials Selection for Spintronics Johll, Harman Lee, Michael Dao Kang Ng, Sean Peng Nam Kang, Hway Chuan Tok, Eng Soon Sci Rep Article Growth through controlled adsorption of ferromagnetic elements such as Fe, Co and Ni on two-dimensional silicene provides an alternative route for silicon-based spintronics. Plane wave DFT calculations show that Fe, Co and Ni adatoms are strongly chemisorbed via strong sigma bonds, with adsorption energies (1.55 - 2.29 eV) that are two to six times greater compared to adsorption on graphene. All adatoms adsorb more strongly at the hole site than at the atom site, with Ni adsorbing strongest. Of the dimer configurations investigated, the hole – hole, b-atom – hole, vertically stacked at hole, vertically stacked at b-atom and bridge sites were found to be stable. The Co and Ni dimers are most stable when adsorbed in the hole-hole configuration while the Fe dimer is most stable when adsorbed in the atom-hole configuration. Metal-to-silicene and interconfigurational s-to-d electron transfer processes underpin the trends observed in adsorption energies and magnetic moments for both adatoms and dimers. Adsorption of these metals induces a small band gap at the Dirac Cone. In particular Co adatom adsorption at the hole site induces the largest spin-polarized band gaps of 0.70 eV (spin-up) and 0.28 eV (spin-down) making it a potential material candidate for spintronics applications. Nature Publishing Group 2014-12-23 /pmc/articles/PMC4274514/ /pubmed/25534484 http://dx.doi.org/10.1038/srep07594 Text en Copyright © 2014, Macmillan Publishers Limited. All rights reserved http://creativecommons.org/licenses/by-nc-sa/4.0/ This work is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License. The images or other third party material in this article are included in the article's Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder in order to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-sa/4.0/ |
spellingShingle | Article Johll, Harman Lee, Michael Dao Kang Ng, Sean Peng Nam Kang, Hway Chuan Tok, Eng Soon Influence of Interconfigurational Electronic States on Fe, Co, Ni-Silicene Materials Selection for Spintronics |
title | Influence of Interconfigurational Electronic States on Fe, Co, Ni-Silicene Materials Selection for Spintronics |
title_full | Influence of Interconfigurational Electronic States on Fe, Co, Ni-Silicene Materials Selection for Spintronics |
title_fullStr | Influence of Interconfigurational Electronic States on Fe, Co, Ni-Silicene Materials Selection for Spintronics |
title_full_unstemmed | Influence of Interconfigurational Electronic States on Fe, Co, Ni-Silicene Materials Selection for Spintronics |
title_short | Influence of Interconfigurational Electronic States on Fe, Co, Ni-Silicene Materials Selection for Spintronics |
title_sort | influence of interconfigurational electronic states on fe, co, ni-silicene materials selection for spintronics |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4274514/ https://www.ncbi.nlm.nih.gov/pubmed/25534484 http://dx.doi.org/10.1038/srep07594 |
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