Coaxial carbon nanotubes as shielded nanowires

被引:12
作者
Brothers, EN [1 ]
Scuseria, GE
Kudin, KN
机构
[1] Rice Univ, Dept Chem, Houston, TX 77005 USA
[2] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA
[3] Princeton Univ, Princeton Inst Sci & Technol Mat, Princeton, NJ 08544 USA
基金
美国国家科学基金会;
关键词
D O I
10.1063/1.2149850
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We report transverse polarizabilities of coaxial carbon nanotubes using first principles density functional theory. These results demonstrate a shielding of the inner nanotube from electric fields by the outer nanotube. This study has implications for nanoelectronics, specifically for the possibility of using coaxial nanotubes as nanoelectrical wires. Shielding is predicted to be on the order of 95% by high-level polarizability calculations. This shielding occurs regardless of whether the outer nanotube is metallic or semiconducting. In addition, a series of calculations on coaxial nanotubes where the inner nanotube is not centered show that the shielding still occurs with approximately the same magnitude. These calculations therefore indicate that it would be possible to use a coaxial carbon nanotube as a shielded nanowire. (c) 2006 American Institute of Physics.
引用
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页数:3
相关论文
共 20 条
[1]   STATIC POLARIZABILITIES OF SINGLE-WALL CARBON NANOTUBES [J].
BENEDICT, LX ;
LOUIE, SG ;
COHEN, ML .
PHYSICAL REVIEW B, 1995, 52 (11) :8541-8549
[2]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947
[3]   Transverse polarizabilities of carbon nanotubes: A Hartree-Fock and density functional study [J].
Brothers, EN ;
Kudin, KN ;
Scuseria, GE ;
Bauschlicher, CW .
PHYSICAL REVIEW B, 2005, 72 (03)
[4]   Density functional calculations for C60 peapods -: art. no. 165424 [J].
Dubay, O ;
Kresse, G .
PHYSICAL REVIEW B, 2004, 70 (16) :1-10
[5]  
*EAPS, EJCPSA6123707548 EPA
[6]  
FREY JT, 2003, TUBEGEN 3 1
[7]  
Frisch M.J., 2004, GAUSSIAN DEV VERSION
[8]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[9]  
JON W, 1965, PHYS REV A, V140, P1133
[10]   An efficient finite field approach for calculating static electric polarizabilities of periodic systems [J].
Kudin, KN ;
Scuseria, GE .
JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (18) :7779-7785