Ab initio study of magnetic and electronic properties of Fe-filled single-walled carbon nanotubes

We investigate the electronic and magnetic properties of a metallic (3,3) single-walled carbon nanotube (SWCNT) filled with a linear Fe nanowire, based on the ab initio spin-polarized density functional theory. We find that in the stable structure the Fe-filled (3, 3), (5, 0) SWCNTs exhibit semicond...

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Main Authors:	Rahman, Md Mahmudur, Kisaku, Masanori, Kishi, Tomoya, Matsunaka, D., Diño, Wilson Agerico, Nakanishi, Hiroshi, Kasai, Hideaki
Format:	text
Published:	Animo Repository 2004
Subjects:	Carbon nanotubes Antiferromagnetism Ferromagnetic materials Chemical vapor deposition Physics
Online Access:	https://animorepository.dlsu.edu.ph/faculty_research/3804 https://animorepository.dlsu.edu.ph/context/faculty_research/article/4806/type/native/viewcontent/042.html
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Institution:	De La Salle University

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spelling	oai:animorepository.dlsu.edu.ph:faculty_research-48062022-08-14T05:46:33Z Ab initio study of magnetic and electronic properties of Fe-filled single-walled carbon nanotubes Rahman, Md Mahmudur Kisaku, Masanori Kishi, Tomoya Matsunaka, D. Diño, Wilson Agerico Nakanishi, Hiroshi Kasai, Hideaki We investigate the electronic and magnetic properties of a metallic (3,3) single-walled carbon nanotube (SWCNT) filled with a linear Fe nanowire, based on the ab initio spin-polarized density functional theory. We find that in the stable structure the Fe-filled (3, 3), (5, 0) SWCNTs exhibit semiconducting properties, and the Fe nanowires lose their magnetic moment, while the (4, 4), (5, 5), (6, 6), (6,0) SWCNTs having larger radius with linear Fe nanowires are metallic, and show magnetic moments. 2004-12-08T08:00:00Z text text/html https://animorepository.dlsu.edu.ph/faculty_research/3804 info:doi/10.1088/0953-8984/16/48/042 https://animorepository.dlsu.edu.ph/context/faculty_research/article/4806/type/native/viewcontent/042.html Faculty Research Work Animo Repository Carbon nanotubes Antiferromagnetism Ferromagnetic materials Chemical vapor deposition Physics
institution	De La Salle University
building	De La Salle University Library
continent	Asia
country	Philippines Philippines
content_provider	De La Salle University Library
collection	DLSU Institutional Repository
topic	Carbon nanotubes Antiferromagnetism Ferromagnetic materials Chemical vapor deposition Physics
spellingShingle	Carbon nanotubes Antiferromagnetism Ferromagnetic materials Chemical vapor deposition Physics Rahman, Md Mahmudur Kisaku, Masanori Kishi, Tomoya Matsunaka, D. Diño, Wilson Agerico Nakanishi, Hiroshi Kasai, Hideaki Ab initio study of magnetic and electronic properties of Fe-filled single-walled carbon nanotubes
description	We investigate the electronic and magnetic properties of a metallic (3,3) single-walled carbon nanotube (SWCNT) filled with a linear Fe nanowire, based on the ab initio spin-polarized density functional theory. We find that in the stable structure the Fe-filled (3, 3), (5, 0) SWCNTs exhibit semiconducting properties, and the Fe nanowires lose their magnetic moment, while the (4, 4), (5, 5), (6, 6), (6,0) SWCNTs having larger radius with linear Fe nanowires are metallic, and show magnetic moments.
format	text
author	Rahman, Md Mahmudur Kisaku, Masanori Kishi, Tomoya Matsunaka, D. Diño, Wilson Agerico Nakanishi, Hiroshi Kasai, Hideaki
author_facet	Rahman, Md Mahmudur Kisaku, Masanori Kishi, Tomoya Matsunaka, D. Diño, Wilson Agerico Nakanishi, Hiroshi Kasai, Hideaki
author_sort	Rahman, Md Mahmudur
title	Ab initio study of magnetic and electronic properties of Fe-filled single-walled carbon nanotubes
title_short	Ab initio study of magnetic and electronic properties of Fe-filled single-walled carbon nanotubes
title_full	Ab initio study of magnetic and electronic properties of Fe-filled single-walled carbon nanotubes
title_fullStr	Ab initio study of magnetic and electronic properties of Fe-filled single-walled carbon nanotubes
title_full_unstemmed	Ab initio study of magnetic and electronic properties of Fe-filled single-walled carbon nanotubes
title_sort	ab initio study of magnetic and electronic properties of fe-filled single-walled carbon nanotubes
publisher	Animo Repository
publishDate	2004
url	https://animorepository.dlsu.edu.ph/faculty_research/3804 https://animorepository.dlsu.edu.ph/context/faculty_research/article/4806/type/native/viewcontent/042.html
_version_	1767195980837421056

Ab initio study of magnetic and electronic properties of Fe-filled single-walled carbon nanotubes

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