Tuning spin filtering and spin rectifying behaviors of zigzag silicon carbon nanoribbons by edge dual-hydrogenation

Abstract

Abstract Using non-equilibrium Green's function combined with density functional theory, we investigate spin-resolved transport properties of zigzag silicon carbon nanoribbons (zSiCNRs) with the different edge hydrogenations. The dual-hydrogenation on edge C or Si atoms all can break the magnetic degeneracy of zSiCNRs with mono-hydrogenation, and change it from the initial metallicity to halfmetallic behavior under the ferromagnetic state. Under the parallel magnetic configuration, the dual-hydrogenation on edge C or Si atoms of zSiCNR devices can induce and reverse a prefect spin filtering behavior with nearly 100% spin filtering efficiency. Under the anti-parallel magnetic configuration, the dual-hydrogenation on edge C or Si atoms can enhance the spin rectifying behavior of zSiCNR devices obviously with the substantial increases in corresponding spin rectifying ratios of α-spin or β-spin currents. The above findings are very useful for its functional application in silicon carbon spin-dependent nanodevices.