The viability of 0.3 nm diameter carbon nanotubes

被引：37
作者：
Mao, YL
Yan, XH [1 ]
Xiao, Y
Xiang, J
Yang, YR
Yu, HL
机构：
[1] Xiangtan Univ, Dept Phys, Xiangtan 411105, Hunan, Peoples R China
[2] Xiangtan Univ, Inst Modern Phys, Xiangtan 411105, Hunan, Peoples R China
[3] Chinese Acad Sci, Interdisciplinary Ctr Theoret Studies, Beijing 10080, Peoples R China
[4] Chinese Acad Sci, Inst Theoret Phys, Beijing 10080, Peoples R China
来源：
NANOTECHNOLOGY | 2004年 / 15卷 / 08期
关键词：
D O I：
10.1088/0957-4484/15/8/024
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
Using first-principles calculations, we investigate the comparative stability of sub-0.4 nm carbon nanotubes. Compared to the fullerenes C-20 and C-60, it is found that the most likely carbon nanotubes with a small diameter 0.3 nm are (2, 2), (3, 1) and (4, 0) nanotubes. The spontaneous symmetry breaking of an isolated (2, 2) nanotube produces an energy gap at the Fermi level converting it into a semiconductor. The curvature effects lowered the pi* band to cross the Fermi energy, leading to the (4, 0) nanotube being metallic.
引用
收藏
页码：1000 / 1003
页数：4
相关论文
共 24 条
[1]   HYBRIDIZATION EFFECTS AND METALLICITY IN SMALL RADIUS CARBON NANOTUBES [J].
BLASE, X ;
BENEDICT, LX ;
SHIRLEY, EL ;
LOUIE, SG .
PHYSICAL REVIEW LETTERS, 1994, 72 (12) :1878-1881
[2]  
CARBRIA I, 2003, PHYS REV B, V67
[3]  
Ding JW, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.073401
[4]   Formation of quantum structures on a single nanotube by modulating hydrogen adsorption -: art. no. 115419 [J].
Gülseren, O ;
Yildirim, T ;
Ciraci, S .
PHYSICAL REVIEW B, 2003, 68 (11)
[5]   Polarized absorption spectra of single-walled 4Å carbon nanotubes aligned in channels of an AlPO4-5 single crystal -: art. no. 127401 [J].
Li, ZM ;
Tang, ZK ;
Liu, HJ ;
Wang, N ;
Chan, CT ;
Saito, R ;
Okada, S ;
Li, GD ;
Chen, JS ;
Nagasawa, N ;
Tsuda, S .
PHYSICAL REVIEW LETTERS, 2001, 87 (12) :127401/1-127401/4
[6]   Properties of 4 Å carbon nanotubes from first-principles calculations -: art. no. 115416 [J].
Liu, HJ ;
Chan, CT .
PHYSICAL REVIEW B, 2002, 66 (11) :1-5
[7]   Carbon species confined inside carbon nanotubes: A density functional study [J].
Liu, Y ;
Jones, RO ;
Zhao, XL ;
Ando, Y .
PHYSICAL REVIEW B, 2003, 68 (12)
[8]   ARE FULLERENE TUBULES METALLIC [J].
MINTMIRE, JW ;
DUNLAP, BI ;
WHITE, CT .
PHYSICAL REVIEW LETTERS, 1992, 68 (05) :631-634
[9]   SPECIAL POINTS FOR BRILLOUIN-ZONE INTEGRATIONS [J].
CHADI, DJ .
PHYSICAL REVIEW B, 1977, 16 (04) :1746-1747
[10]   Chemically active substitutional nitrogen impurity in carbon nanotubes -: art. no. 105502 [J].
Nevidomskyy, AH ;
Csányi, G ;
Payne, MC .
PHYSICAL REVIEW LETTERS, 2003, 91 (10)
123