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Density functional study of spin polarization on a carbon material with a hexagonal structure induced by iron atoms

We investigate the spin polarization of a non magnetic material, e.g., a carbon material made from ten C atoms forming a hexagonal structure with total spin S = 0, induced by a ferromagnetic material, e.g., two Fe atoms with a total spin S = 4. Based on the density functional theory, we calculate th...

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Main Authors: Muhida, Rifki, Rahman, Md. Mahmudur, Chowdhury, Md. Sazzad Hossien, Setiyanto, Henry, Zainuddin, Hishamuddin, Zakaria, Azmi, Kasai, Hideaki
Format: Article
Language:English
Published: American Scientific Publishers 2014
Online Access:http://psasir.upm.edu.my/id/eprint/36980/1/Density%20functional%20study%20of%20spin%20polarization%20on%20a%20carbon%20material%20with%20a%20hexagonal%20structure%20induced%20by%20iron%20atoms.pdf
http://psasir.upm.edu.my/id/eprint/36980/
http://www.ingentaconnect.com/content/asp/jctn/2014/00000011/00000001/art00009?token=003f1b703b719b6f98c39412f415d766b2524702e7b457a3863382530332948
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spelling my.upm.eprints.369802015-10-06T04:09:22Z http://psasir.upm.edu.my/id/eprint/36980/ Density functional study of spin polarization on a carbon material with a hexagonal structure induced by iron atoms Muhida, Rifki Rahman, Md. Mahmudur Chowdhury, Md. Sazzad Hossien Setiyanto, Henry Zainuddin, Hishamuddin Zakaria, Azmi Kasai, Hideaki We investigate the spin polarization of a non magnetic material, e.g., a carbon material made from ten C atoms forming a hexagonal structure with total spin S = 0, induced by a ferromagnetic material, e.g., two Fe atoms with a total spin S = 4. Based on the density functional theory, we calculate the total spin density of the system. Our preliminary results show that the total spin for the ten C atoms changes from S = 0 to S = 4, while the total spin of the two Fe atoms changes from S = 4 to S =0. These results seem to indicate that there is a promising possibility to induce spin polarization on a carbon material by Fe atoms. American Scientific Publishers 2014-01 Article PeerReviewed application/pdf en http://psasir.upm.edu.my/id/eprint/36980/1/Density%20functional%20study%20of%20spin%20polarization%20on%20a%20carbon%20material%20with%20a%20hexagonal%20structure%20induced%20by%20iron%20atoms.pdf Muhida, Rifki and Rahman, Md. Mahmudur and Chowdhury, Md. Sazzad Hossien and Setiyanto, Henry and Zainuddin, Hishamuddin and Zakaria, Azmi and Kasai, Hideaki (2014) Density functional study of spin polarization on a carbon material with a hexagonal structure induced by iron atoms. Journal of Computational and Theoretical Nanoscience, 11 (1). pp. 58-61. ISSN 1546-1955; ESSN: 1546-1963 http://www.ingentaconnect.com/content/asp/jctn/2014/00000011/00000001/art00009?token=003f1b703b719b6f98c39412f415d766b2524702e7b457a3863382530332948 10.1166/jctn.2014.3317
institution Universiti Putra Malaysia
building UPM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Putra Malaysia
content_source UPM Institutional Repository
url_provider http://psasir.upm.edu.my/
language English
description We investigate the spin polarization of a non magnetic material, e.g., a carbon material made from ten C atoms forming a hexagonal structure with total spin S = 0, induced by a ferromagnetic material, e.g., two Fe atoms with a total spin S = 4. Based on the density functional theory, we calculate the total spin density of the system. Our preliminary results show that the total spin for the ten C atoms changes from S = 0 to S = 4, while the total spin of the two Fe atoms changes from S = 4 to S =0. These results seem to indicate that there is a promising possibility to induce spin polarization on a carbon material by Fe atoms.
format Article
author Muhida, Rifki
Rahman, Md. Mahmudur
Chowdhury, Md. Sazzad Hossien
Setiyanto, Henry
Zainuddin, Hishamuddin
Zakaria, Azmi
Kasai, Hideaki
spellingShingle Muhida, Rifki
Rahman, Md. Mahmudur
Chowdhury, Md. Sazzad Hossien
Setiyanto, Henry
Zainuddin, Hishamuddin
Zakaria, Azmi
Kasai, Hideaki
Density functional study of spin polarization on a carbon material with a hexagonal structure induced by iron atoms
author_facet Muhida, Rifki
Rahman, Md. Mahmudur
Chowdhury, Md. Sazzad Hossien
Setiyanto, Henry
Zainuddin, Hishamuddin
Zakaria, Azmi
Kasai, Hideaki
author_sort Muhida, Rifki
title Density functional study of spin polarization on a carbon material with a hexagonal structure induced by iron atoms
title_short Density functional study of spin polarization on a carbon material with a hexagonal structure induced by iron atoms
title_full Density functional study of spin polarization on a carbon material with a hexagonal structure induced by iron atoms
title_fullStr Density functional study of spin polarization on a carbon material with a hexagonal structure induced by iron atoms
title_full_unstemmed Density functional study of spin polarization on a carbon material with a hexagonal structure induced by iron atoms
title_sort density functional study of spin polarization on a carbon material with a hexagonal structure induced by iron atoms
publisher American Scientific Publishers
publishDate 2014
url http://psasir.upm.edu.my/id/eprint/36980/1/Density%20functional%20study%20of%20spin%20polarization%20on%20a%20carbon%20material%20with%20a%20hexagonal%20structure%20induced%20by%20iron%20atoms.pdf
http://psasir.upm.edu.my/id/eprint/36980/
http://www.ingentaconnect.com/content/asp/jctn/2014/00000011/00000001/art00009?token=003f1b703b719b6f98c39412f415d766b2524702e7b457a3863382530332948
_version_ 1643831883008573440
score 13.250246

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