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Quantum conductance of armchair carbon nanocoils: roles of geometry effects

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  • Multiscale Modeling & Simulation of Materials
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Abstract

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 π-orbital TB model incorporated 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.

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Authors and Affiliations

  1. Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian, 116024, China

    LiZhao Liu, HaiLi Gao & JiJun Zhao

  2. College of Advanced Science and Technology, Dalian University of Technology, Dalian, 116024, China

    LiZhao Liu, HaiLi Gao & JiJun Zhao

  3. Jiangsu Key Laboratory for Chemistry of Low-Dimensional Materials, Huaiyin Normal University, Huai’an, 223300, China

    JiJun Zhao

  4. Department of Physics and Astronomy, University of North Carolina at Chapel Hill, Chapel Hill, NC, 27599, USA

    JianPing Lu

Authors
  1. LiZhao Liu
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  2. HaiLi Gao
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  3. JiJun Zhao
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  4. JianPing Lu
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Correspondence to JiJun Zhao.

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Liu, L., Gao, H., Zhao, J. et al. Quantum conductance of armchair carbon nanocoils: roles of geometry effects. Sci. China Phys. Mech. Astron. 54, 841–845 (2011). https://doi.org/10.1007/s11433-011-4315-z

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  • DOI: https://doi.org/10.1007/s11433-011-4315-z

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