Doping and the unique role of vacancies in promoting the magnetic ground state in carbon nanotubes and C60 polymers

被引：13

作者：

Andriotis, Antonis N.

Sheetz, R. Michael

Menon, Madhu

机构：

[1] Fdn Res & Technol Hellas, Inst Elect Struct & Laser, Iraklion 71110, Crete, Greece

[2] Univ Kentucky, Ctr Computat Sci, Lexington, KY 40506 USA

[3] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA

来源：

PHYSICAL REVIEW B | 2006年 / 74卷 / 15期

关键词：

D O I：

10.1103/PhysRevB.74.153403

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The role of various types of defects in establishing the magnetic properties of the C-60-based polymers and the single-wall carbon nanotubes is investigated. Comparing the role of carbon vacancies, and that of substitutional impurity atoms X (X=N, B, O, Si, P, and S) in establishing a magnetic ground state it is found that the impurity X atoms promote the spin density delocalization, whereas its localization appears as one of the primary effects of the carbon vacancies.

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