High-performance spin rectification in gallium nitride-based molecular junctions with asymmetric edge passivation

The spin transport properties of molecular devices constructed from zigzag gallium nitride nanoribbons (ZGaNNRs) are investigated by applying the non-equilibrium Green's function formalism in combination with density functional theory. The computational results indicate that ZGaNNR systems show spin rectification with a high efficiency, approaching nearly 109, giant magnetoresistance with a ratio up to 108, perfect spin-filtering, and negative differential resistance effects. Importantly, our results reveal that intrinsic rectification can be observed regardless of their width. The microscopic origins of the rectification are revealed and discussed in terms of a spin-resolved transmission spectrum, the band structures of the ZGaNNRs, and the molecular projected self-consistent Hamiltonian. Our findings could be useful for designing GaN-based spintronic nanodevices. Published by AIP Publishing.