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

Xiaojiao Zhang, Dandan Peng, Xiaoliang Xie, Xiaobo Li, Yulan Dong and Mengqiu Long ()
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Xiaojiao Zhang: Hunan University of Technology and Business
Dandan Peng: Central South University
Xiaoliang Xie: 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

The European Physical Journal B: Condensed Matter and Complex Systems, 2021, vol. 94, issue 4, 1-7

Abstract: 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

Date: 2021
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DOI: 10.1140/epjb/s10051-021-00092-0

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