First-principles calculations: half-metallic Au-V(Cr) quantum wires as spin filters.

ABSTRACT

The half-metallic behavior of Au-V(Cr) quantum wires adsorbed on an armchair (5, 5) boron nitride nanotube is obtained by performing spin-polarized density functional calculations. The density of states shows a metallic property at the Fermi level for the majority spin channel and a semiconductor gap in the minority spin channel. The half-metallic behavior of the quantum wire/nanotube complex originates from the half-metallic behavior of the free-standing Au-V(Cr) quantum wires. The calculations of spin-polarized transport indicate that such a one-dimensional half-metallic magnet can be used as a spin filter.