Nitrogen Doping Position-Dependent Rectification of Spin-Polarized Current and Realization of Multifunction in Zigzag Graphene Nanoribbons with Asymmetric Edge Hydrogenation

Abstract

The magnetic and spin transport properties of asymmetric edge-hydrogenated zigzag graphene nanoribbons (ZGNRs) selectively doped with nitrogen atoms were investigated using spin-polarized density functional theory and non-equilibrium Green’s function. Results show that the rectifying performance of spin-polarized current with a ratio higher than 105 can be modulated by changing the positions of the nitrogen dopant. Complete spin filtering (100%) and excellent negative differential resistance behaviors were observed in the ZGNR junctions. These doping position-dependent spin transport characteristics were further tested by shifting from the odd-numbered zigzag-shaped C chains (NZ) to the even-numbered NZ in ZGNRs. This study suggests that adopting a suitable nitrogen doping position could be an effective approach to significantly enhance the rectifying behavior of asymmetric edge-hydrogenated ZGNRs, which are promising materials for multifunctional spintronic devices.