First-principle study of the electronic transport properties of a new dumbbell-like carbon nanocomposite

Using a first-principle density functional theory and non-equilibrium Green's function formalism for quantum transport calculation, we have investigated the electronic transport properties of a new dumbbell-like carbon nanocomposite, in which one carbon nanotube segment is capped with two C60 f...

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Bibliographic Details
Published in:Physica. B, Condensed matter Condensed matter, 2012-06, Vol.407 (12), p.2105-2108
Main Authors: Zhao, P., Liu, D.S.
Format: Article
Language:English
Subjects:
Bias
Buckminsterfullerene
Carbon
Carbon nanotubes
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Conductivity of specific materials
Electronic transport
Electronic transport in condensed matter
Electronics
Exact sciences and technology
Fullerene
Fullerenes
Fullerenes and related materials
Nanomaterials
Nanostructure
Negative differential resistance
Non-equilibrium Green's function
Physics
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Summary:Using a first-principle density functional theory and non-equilibrium Green's function formalism for quantum transport calculation, we have investigated the electronic transport properties of a new dumbbell-like carbon nanocomposite, in which one carbon nanotube segment is capped with two C60 fullerenes. Our results show that the current–voltage curve reveals a highly nonlinear feature. A negative differential resistance (NDR) behavior is obtained at a very low bias, which is expected to be helpful for the development of low bias NDR-based molecular devices. Moreover, the carbon nanotube length and fullerene type can affect the NDR behavior strongly. The electronic transport is analyzed from the transmission spectra and the molecular projected self-consistent Hamiltonian states under different applied biases.
ISSN:0921-4526
1873-2135
DOI:10.1016/j.physb.2012.02.015