First-principles investigation on B/N co-doping of metallic carbon nanotubes

被引：29

作者：

Chen, L. N. ^{[1
,2
]}

OuYang, F. P. ^{[1
]}

Ma, S. S. ^{[1
]}

Wu, X. Z. ^{[1
]}

Xiao, J. ^{[1
]}

Xu, H. ^{[1
]}

机构：

[1] Cent S Univ, Sch Phys Sci & Technol, Changsha 410083, Peoples R China

[2] Univ S China, Sch Comp Sci & Technol, Hengyang 421001, Peoples R China

来源：

PHYSICS LETTERS A | 2010年 / 374卷 / 42期

基金：

中国国家自然科学基金;

关键词：

Metallic carbon nanotube; B/N co-doping; Energy gap; First-principles;

D O I：

10.1016/j.physleta.2010.08.015

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Using the first-principles study, we calculate the electronic band structure of metallic carbon nanotubes (MCNTs) with B/N co-doping. We show the formation energies which suggest that the B/N co-doping configuration is the energetically stable structure. We find that the electronic structure properties depend on the doping concentration of MCNTs, as well as the doping position. Energy gap opens rapidly when the symmetry breaking of MCNTs happens. These unconventional eloping effects could be used to design novel nanoelectronic devices. (c) 2010 Elsevier B.V. All rights reserved.

引用

页码：4343 / 4348

页数：6

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