Electronic structures of BC3 nanoribbons

被引：64

作者：

Ding, Yi ^{[1
]}

Wang, Yanli

Ni, Jun

机构：

[1] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China

来源：

APPLIED PHYSICS LETTERS | 2009年 / 94卷 / 07期

基金：

美国国家科学基金会;

关键词：

ab initio calculations; band structure; boron compounds; density functional theory; nanostructured materials; semiconductor materials; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; SEMICONDUCTORS;

D O I：

10.1063/1.3085967

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Using first principles calculations, we investigate the electronic structures of BC3 nanoribbons. We find that BC3 nanoribbons show a rich variety of electronic properties. The BC3 nanoribbons with the armchair shaped edges are all semiconductors, while BC3 nanoribbons with the zigzag shaped edges are semiconductors or metals depending on the edge atoms. The metallicity of BC3 nanoribbons with the zigzag shaped edges is attributed to the pi bonds formation between boron and carbon atoms and the lack of the carbon hexagons in the edge zigzag line.

引用

页数：3

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