First-principles calculation on electronic properties of B and N co-doping carbon nanotubes

被引：4

作者：

Shi Jianhao ^{[1
]}

Zhao Tong ^{[1
]}

Li Xuechao ^{[1
]}

Huo Meng ^{[1
]}

Wan Rundong ^{[1
]}

机构：

[1] Kunming Univ Sci & Technol, Inst Mat Sci & Engn, Kunming 650093, Peoples R China

来源：

JOURNAL OF SEMICONDUCTORS | 2016年 / 37卷 / 03期

关键词：

single-walled carbon nanotube; curvature effect; co-doping; bandgap; hybrid functional;

D O I：

10.1088/1674-4926/37/3/032002

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We apply the Heyd-Scuseria-Ernzerhof hybrid functional calculation to study the (2, 3) nanotube co-doped with various compositions of nitrogen and boron atoms. We find that the bandgaps and other properties of doped nanotubes oscillate with the doped compositions. Our study should shed light on the understanding of the properties of doped small nanotubes. This might have potential in designing new nano electronic-devices.

引用

页数：6

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