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Modulating the spin-dependent electronic structures and transport properties of zigzag $$\upalpha $$ α -2 graphyne nanoribbons by boron doping

Author

Listed:
  • Xiaojiao Zhang

    (Hunan University of Technology and Business
    Hunan University of Technology and Business)

  • Dandan Peng

    (Central South University)

  • Xiaoliang Xie

    (Hunan University of Technology and Business
    Hunan University of Technology and Business)

  • Xiaobo Li

    (Hunan University of Technology and Business)

  • Yulan Dong

    (Hunan University of Technology and Business)

  • Mengqiu Long

    (Central South University)

Abstract

We investigated the electronic structure and spin-dependent transport properties of zigzag $$\upalpha $$ α -2 graphyne nanoribbons (Z $$\upalpha $$ α -2GYNRs) with boron (B) atomic doping by using first-principle non-equilibrium Green’s function method. We observed a spin-polarized semi-metallic electronic structure with an acetylenic (sp hybridized) carbon at the edge which is substituted by boron. We also calculated the spin-dependent transport properties and observed both unidirectional and bidirectional spin-filtering effects. Our results demonstrated boron substitution as an effective method for modulating the spin-dependent electronic property of the Z $$\upalpha $$ α -2GYNRs. This work would provide a new scheme for designing graphyne-based spintronics devices. Graphic abstract

Suggested Citation

  • Xiaojiao Zhang & Dandan Peng & Xiaoliang Xie & Xiaobo Li & Yulan Dong & Mengqiu Long, 2021. "Modulating the spin-dependent electronic structures and transport properties of zigzag $$\upalpha $$ α -2 graphyne nanoribbons by boron doping," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 94(4), pages 1-7, April.
    • Handle: RePEc:spr:eurphb:v:94:y:2021:i:4:d:10.1140_epjb_s10051-021-00092-0
    DOI: 10.1140/epjb/s10051-021-00092-0
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