Magnetism in Atomic-Sized Palladium Contacts and Nanowires

TL;DR

This paper investigates the magnetic properties of palladium nanowires, revealing that certain atomic configurations exhibit Hund's rule magnetism with measurable spin moments, unlike bulk palladium.

Contribution

It is the first theoretical study to demonstrate Hund's rule magnetism in atomic-sized palladium wires, highlighting the dependence on wire length and structure.

Findings

Long monoatomic wires have a spin moment of 0.7 Bohr magnetons per atom.

Short wires between bulk leads have a spin moment of about 0.3 Bohr magnetons per atom.

Certain coaxial wire structures are nonmagnetic.

Abstract

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