Enhanced many-body effects in one-dimensional linear atomic chains

Authors

  • Ruixiang Fei,

    1. State Key Laboratory of Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, P. R., China
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    • These two authors contributed equally to this work.
  • Guangfu Luo,

    1. State Key Laboratory of Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, P. R., China
    2. Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Okazaki 444-8585, Japan
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    • These two authors contributed equally to this work.
  • Yangyang Wang,

    1. State Key Laboratory of Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, P. R., China
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  • Zhengxiang Gao,

    1. State Key Laboratory of Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, P. R., China
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  • Shigeru Nagase,

    1. Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Okazaki 444-8585, Japan
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  • Dapeng Yu,

    1. State Key Laboratory of Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, P. R., China
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  • Jing Lu

    Corresponding author
    • State Key Laboratory of Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, P. R., China
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Abstract

We present the quasiparticle energy and optical absorption spectrum results of 1D linear H, BN, C, and Au chains, which are the lower size limit of a periodic material, by using ab initio many-body approaches. Unprecedentedly large quasiparticle corrections and excitonic effects are revealed in these extreme systems compared with quasi-1D, 2D, and 3D periodic systems. The binding energy of the bound exciton is up to 3.55 eV in the semiconducting BN chain and 0.5 eV in the metallic C chain, the latter of which is the largest in a metallic system.

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