期刊
JOURNAL OF PHYSICS-CONDENSED MATTER
卷 16, 期 48, 页码 S5755-S5758出版社
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/16/48/042
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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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