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

Disciplines

Physics

Keywords

Carbon nanotubes; Antiferromagnetism; Ferromagnetic materials; Chemical vapor deposition

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