Transport properties of boron nanotubes investigated by ab initio calculation

被引：0

作者：

Guo Wei ^{[1
]}

Hu Yi-Bin ^{[1
]}

Zhang Yu-Yang ^{[1
]}

Du Shi-Xuan ^{[1
]}

Gao Hong-Jun ^{[1
]}

机构：

[1] Chinese Acad Sci, Nanoscale Phys & Devices Lab, Inst Phys, Beijing 100190, Peoples R China

来源：

CHINESE PHYSICS B | 2009年 / 18卷 / 06期

基金：

中国国家自然科学基金;

关键词：

nonequilibrium Green function; transport properties; boron nanotubes;

D O I：

暂无

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We investigate atomic and electronic structures of boron nanotubes (BNTs) by using the density functional theory (DFT). The transport properties of BNTs with different diameters and chiralities are studied by the Keldysh nonequilibrium Green function (NEGF) method. It is found that the cohesive energies and conductances of BNTs decrease as their diameters decrease. It is more difficult to form (N, 0) tubes than (M, M) tubes when the diameters of the two kinds of tubes are comparable. However, the (N, 0) tubes have a higher conductance than the (M, M) tubes. When the BNTs are connected to gold electrodes, the coupling between the BNTs and the electrodes will affect the transport proper-ties of tubes significantly.

引用

页码：2502 / 2507

页数：6

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