Ferromagnetic spin ordering on carbon nanotubes with topological line defects

被引：66

作者：

Okada, Susumu ^{[1
]}

Nakada, Kyoko

Kuwabara, Kei

Daigoku, Kota

Kawai, Takazumi

机构：

[1] Univ Tsukuba, Inst Phys, Tsukuba, Ibaraki 3058571, Japan

[2] Univ Tsukuba, Ctr Computat Sci, Tsukuba, Ibaraki 3058571, Japan

[3] Japan Sci & Technol Agcy, CREST, Kawaguchi, Saitama 3320012, Japan

[4] Aoyama Gakuin Univ, Dept Chem & Biol Sci, Sagamihara, Kanagawa 2298558, Japan

[5] NEC Corp Ltd, Fundamental & Environm Res Labs, Tsukuba, Ibaraki 3058501, Japan

来源：

PHYSICAL REVIEW B | 2006年 / 74卷 / 12期

关键词：

D O I：

10.1103/PhysRevB.74.121412

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We report first-principles total-energy electronic-structure calculations in the density functional theory performed for carbon nanotubes with a topological line defect consisting of pentagon and octagon rings. We find that the ground state of the nanotubes with the topological line defect is ferromagnetic with small but finite magnetic moment of about 0.04 mu(B)/A. Detailed analyses of energy bands and spin densities unequivocally reveal the nature of the ferromagnetic spin ordering which is associated with the peculiar edge-localized states of graphite flakes.

引用

页数：4

共 32 条

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