Eigenstates and transmission coefficients of finite-sized carbon nanotubes

被引:34
作者
Compernolle, S [1 ]
Chibotaru, L [1 ]
Ceulemans, A [1 ]
机构
[1] Univ Louvain, Dept Chem, B-3001 Louvain, Belgium
关键词
D O I
10.1063/1.1587691
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
The tight-binding eigenstates of isolated finite-sized zigzag and armchair nanotubes are obtained analytically using the transfer matrix method. Edge states are encountered for zigzag tubes but not for armchair tubes. Inclusion of curvature leads to a decaying-oscillating behavior of the highest occupied and lowest unoccupied molecular orbital gap in armchair tubes as a function of length. For zigzag tubes the inclusion of curvature induces the conversion of an extended state at nonbonding energy to an edge state. In addition the transmission coefficient of zigzag and armchair tubes with featureless leads is analytically obtained. The existence of a transmission peak at the Fermi level that decays exponentially with nanotube length for zigzag tubes is explained. (C) 2003 American Institute of Physics.
引用
收藏
页码:2854 / 2873
页数:20
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