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    Spin-Charge Separation in Finite Length Metallic Carbon Nanotubes

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    Type
    Article
    Authors
    Zhang, Yongyou
    Zhang, Qingyun
    Schwingenschlögl, Udo cc
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2017-10-17
    Online Publication Date
    2017-10-17
    Print Publication Date
    2017-11-08
    Permanent link to this record
    http://hdl.handle.net/10754/626047
    
    Metadata
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    Abstract
    Using time-dependent density functional theory, we study the optical excitations in finite length carbon nanotubes. Evidence of spin-charge separation is given in the spacetime domain. We demonstrate that the charge density wave is due to collective excitations of electron singlets, while the accompanying spin density wave is due to those of electron triplets. The Tomonaga–Luttinger liquid parameter and density–density interaction are extrapolated from the first-principles excitation energies. We show that the density–density interaction increases with the length of the nanotube. The singlet and triplet excitation energies, on the other hand, decrease for increasing length of the nanotube. Their ratio is used to establish a first-principles approach for deriving the Tomonaga–Luttinger parameter (in excellent agreement with experimental data). Time evolution analysis of the charge and spin line densities evidences that the charge and spin density waves are elementary excitations of metallic carbon nanotubes. Their dynamics show no dependence on each other.
    Citation
    Zhang Y, Zhang Q, Schwingenschlögl U (2017) Spin-Charge Separation in Finite Length Metallic Carbon Nanotubes. Nano Letters. Available: http://dx.doi.org/10.1021/acs.nanolett.7b02880.
    Sponsors
    The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). It was also supported by the National Natural Science Foundation of China (NSFC grant no. 11304015).
    Publisher
    American Chemical Society (ACS)
    Journal
    Nano Letters
    DOI
    10.1021/acs.nanolett.7b02880
    PubMed ID
    29039674
    Additional Links
    http://pubs.acs.org/doi/abs/10.1021/acs.nanolett.7b02880
    ae974a485f413a2113503eed53cd6c53
    10.1021/acs.nanolett.7b02880
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Material Science and Engineering Program; Computational Physics and Materials Science (CPMS)

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