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

被引：13

作者：

Rahman, MM ^{[1
]}

Kisaku, M

Kishi, T

Matsunaka, D

Diño, WA

Nakanishi, H

Kasai, H

机构：

[1] Osaka Univ, Dept Appl Phys, Osaka 5650871, Japan

[2] De La Salle Univ, Dept Phys, Manila 1004, Philippines

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2004年 / 16卷 / 48期

关键词：

D O I：

10.1088/0953-8984/16/48/042

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

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.

引用

页码：S5755 / S5758

页数：4

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