Ab initio density functional theory investigation of structural and electronic properties of double-walled silicon carbide nanotubes

被引：18
|
作者：
Moradian, Rostam [1 ,2 ,3 ]
Behzad, Somayeh [1 ]
Chegel, Raad [1 ]
机构：
[1] Razi Univ, Fac Sci, Dept Phys, Kermanshah, Iran
[2] Razi Univ, Nano Sci & Technol Res Ctr, Kermanshah, Iran
[3] Inst Studies Theoret Phys & Math, Dept Nano Sci, Computat Phys Sci Res Lab, Tehran, Iran
来源：
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES | 2009年 / 42卷 / 02期
关键词：
Density functional theory; SiC nanotube; Electronic structure;
D O I：
10.1016/j.physe.2009.10.005
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
By using ab initio density functional theory, the structural and electronic properties of (n, n)@(11, 11) double-walled silicon carbide nanotubes (SiCNTs) are investigated. Our calculations reveal the existence of an energetically favorable double-walled nanotube whose interwall distance is about 4.3 angstrom. Interwall spacing and curvature difference are found to be essential for the electronic states around the Fermi level. (C) 2009 Elsevier B.V. All rights reserved.
引用
收藏
页码：172 / 175
页数：4
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