Ab initio study of magnetic and electronic properties of Fe-filled single-walled carbon nanotubes
College
College of Science
Department/Unit
Physics
Document Type
Conference Proceeding
Source Title
Journal of Physics Condensed Matter
Volume
16
Issue
48
Publication Date
12-8-2004
Abstract
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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Digitial Object Identifier (DOI)
10.1088/0953-8984/16/48/042
Recommended Citation
Rahman, M., Kisaku, M., Kishi, T., Matsunaka, D., Diño, W., Nakanishi, H., & Kasai, H. (2004). Ab initio study of magnetic and electronic properties of Fe-filled single-walled carbon nanotubes. Journal of Physics Condensed Matter, 16 (48) https://doi.org/10.1088/0953-8984/16/48/042
Disciplines
Physics
Keywords
Carbon nanotubes; Antiferromagnetism; Ferromagnetic materials; Chemical vapor deposition
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