Eur. Phys. J. B (2021) 94: 86
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

^f mqlong@csu.edu.cn

Received: 22 December 2020
Accepted: 26 March 2021
Published online: 23 April 2021

Abstract

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.