Modulating the electronic structures of blue phosphorene towards spintronics
Modulation of the electronic and magnetic structure of blue phosphorene nanoribbons to explore the potential application in spintronics is appealing. Using density functional theory in combination with non-equilibrium Green’s function method, the energetic, electronic, magnetic, and spin-resolved transport properites of hydrogenated armchair and zigzag blue phosphorene nanoribbons with surface modification by 3d transition metal atoms (ranging from Sc to Ni) are systematically investigated. The blue phosphorene nanoribbons show a large capability to the adsorption of impurity atoms, and the adatoms prefer 2D growth mode on the nanoribbons. The band structures of blue phosphorene nanoribbon are effectively modulated by the adatoms: the bandgap is dramatically decreased with remarkable spin-polarization except the Ni case. The spin-resolved transport properties of Sc-adsorbed zigzag blue phosphorene nanoribbons are selectively investigated to explore the potential application in spintronics, and giant magnetoresistance effect above 500 is found. This work suggests that the surface adsorption of 3d transition metal heteroatoms is a feasible and effective approach to functionalize blue phosphorene nanoribbons for spintronic applications.