Intrinsic half-metallic BN-C nanotubes

Using spin-polarized density functional theory calculations, we demonstrate that hybrid BN-C nanotubes (BN-CNTs) have diverse electronic and magnetic properties depending on their percentage of carbon and BN components. Typically, a BN-CNT is converted from a nonmagnetic semiconductor to a spin-polarized metal and then to a nonmagnetic semiconductor by increasing the ratio of BN component. The intrinsic half-metallicity could be achieved when the percentage of carbon component in the tube is within a certain ratio, and is insensitive to the tube curvature. Our findings suggest that BN-CNTs may offer unique opportunities for developing nanoscale spintronic materials. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3474620]