Eigenstates and transmission coefficients of finite-sized carbon nanotubes | Zendy

Steven Compernolle | Zendy; Liviu F. Chibotaru | Zendy; Arnout Ceulemans | Zendy

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Eigenstates and transmission coefficients of finite-sized carbon nanotubes

Author(s) -

Steven Compernolle,

Liviu F. Chibotaru,

Arnout Ceulemans

Publication year - 2003

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.1587691

Subject(s) - zigzag , curvature , eigenvalues and eigenvectors , tight binding , transmission coefficient , carbon nanotube , condensed matter physics , fermi level , transmission (telecommunications) , physics , materials science , quantum mechanics , geometry , nanotechnology , electronic structure , mathematics , engineering , electrical engineering , electron

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.status: publishe

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