Magnetism in Atomic-Size Palladium Contacts and Nanowires

We have investigated Pd nanowires theoretically, and found that, unlike either metallic or free atomic Pd, they exhibit Hund's rule magnetism. In long, monostrand nanowires, we find a spin moment of 0.7 mu(B) per atom, whereas for short, monostrand nanowires between bulk leads, the predicted moment is about 0.3 mu(B) per nanowire atom. In contrast, a coaxial (6,1) nanowire was found to be nonmagnetic. The origin of the nanowire magnetism is analyzed.