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: | , , , , , , |
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Format: | text |
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Animo Repository
2004
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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 |
Summary: | 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. |
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