https://doi.org/10.1140/epjb/s10051-021-00092-0
Regular Article - Mesoscopic and Nanoscale Systems
Modulating the spin-dependent electronic structures and transport properties of zigzag 
-2 graphyne nanoribbons by boron doping
1
Department of Physics, School of Mathematics and Statistics, Hunan University of Technology and Business, 410205, Changsha, China
2
Key Laboratory of Hunan Province for Statistical Learning and Intelligent Computation, Hunan University of Technology and Business, 410205, Changsha, China
3
School of Physics and Electronics, Central South University, 410083, Changsha, China
Received:
22
December
2020
Accepted:
26
March
2021
Published online:
23
April
2021
We investigated the electronic structure and spin-dependent transport properties of zigzag -2 graphyne nanoribbons (Z-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-2GYNRs. This work would provide a new scheme for designing graphyne-based spintronics devices.
© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2021
