Quantum conductance of armchair carbon nanocoils： roles of geometry effects

Armchair carbon nanocoils （CNCs） with different geometric parameters are constructed and optimized using a tight-binding （TB） total energy model. The quantum conductance of these nanocoils is simulated employing a γ-orbital TB model incorpo- rated with the non-equilibrium Green＇s function theory. Co...

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Bibliographic Details
Published in:Science China. Physics, mechanics & astronomy mechanics & astronomy, 2011-05, Vol.54 (5), p.841-845
Main Authors: Liu, LiZhao, Gao, HaiLi, Zhao, JiJun, Lu, JianPing
Format: Article
Language:English
Subjects:
Astronomy
Carbon
Carbon nanotubes
Classical and Continuum Physics
Computer numerical control
Conductance
Diameters
Green's functions
Mathematical models
Nanocomposites
Nanomaterials
Nanostructure
Nanotechnology
Observations and Techniques
Parameter sensitivity
Physics
Physics and Astronomy
Research Paper
Spectra
几何参数
几何效应
格林函数理论
碳纳米管
能量模型
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Summary:Armchair carbon nanocoils （CNCs） with different geometric parameters are constructed and optimized using a tight-binding （TB） total energy model. The quantum conductance of these nanocoils is simulated employing a γ-orbital TB model incorpo- rated with the non-equilibrium Green＇s function theory. Compared with the perfect armchair carbon nanotubes （CNTs） and armchair CNTs with only Stone-Wales （SW） defects, the quantum conductance spectra of the armchair CNCs present distinct gaps around the Fermi level, which are mainly originated from the existence of sp3 carbon in the three-dimensional spiral structures. Moreover, the detailed conductance spectra of the armchair CNCs depend sensitively on their geometric parameters, such as tubular diameter and block-block distance.
ISSN:1674-7348
1869-1927
DOI:10.1007/s11433-011-4315-z