Carbon chain-based spintronic devices: Tunable single-spin Seebeck effect, negative differential resistance and giant rectification effects

Using the density functional theory combined with the Keldysh non-equilibrium Green's function methods, we investigate the thermally (or voltage)-induced spin transport properties of a two-probe device consisting of a carbon atom chain sandwiched between two zigzag graphene nanoribbon (ZGNR) electrodes. When the edge of one ZGNR electrode is partially doped by B atoms, the flowing direction of thermal single-spin current can be reversed in contrast with the undoped case. In addition, when a voltage is applied across the carbon-based device at room temperature, a giant rectification ratio of 10 4 is observed which mainly originates from the band-structure incompatibility between two ZGNR electrodes in the voltage window. Moveover, in the high-voltage region, a single-spin negative differential resistance is also observed in the carbon-based device. Our findings here suggest that the carbon-based systems can be used to design spintronic devices with multiple functions.