Spin transport properties of armchair graphene nanoribbons doped with Fe and B atoms

Highlights: • Electronic, magnetic and transport properties of passivated armchair graphene nanoribbons. • Density function theory (DFT) combined with NEGF formalism is used. • Graphene nanoribbons by Fe doping converted to magnetic metal or magnetic semiconductors. • By using metal electrodes, a current in the range of microamperes, is obtained. • One of the most important materials for the electronic and spintronic devices. -- Abstract: Spin-polarized density functional theory combined with non-equilibrium Green's function (NEGF) formalism is used to study the electronic, magnetic and transport properties of hydrogen-terminated armchair graphene nanoribbons doped with iron and boron atoms. We consider hydrogen terminated graphene nanoribbons with width up to seven C–C dimmers (7-AGNR-H). Our main focus is to investigate the effects of Fe and B doping on the spin transport properties of graphene nanoribbons. The substituted boron atoms at the nanoribbon edges suppress the semiconductor to metal transition. This substitutional B and Fe atoms respectively act as electrode and scattering region for the electronic transport along the nanoribbons. It is revealed that negative differential resistance (NDR) behavior and 86% spin filtering effect can be realized, which suggest that doped AGNR devices as the promising candidates in nanospintronics.