Emerging nanomagnetism in 4d transition metal nanowires

TL;DR

This study uses first-principles calculations to reveal that monatomic nanowires of Ru, Rh, and Pd can exhibit Hund's rule magnetism, potentially influencing their conductance properties at the nanoscale.

Contribution

It demonstrates the emergence of magnetism in nonmagnetic 4d transition metal nanowires through relativistic density functional calculations, a novel insight into nanoscale magnetism.

Findings

Hund's rule magnetism observed in Ru, Rh, Pd nanowires

Magnetic moments of 1.1, 0.3, 0.7 Bohr magnetons respectively

Potential impact on ballistic conductance and magnetic field dependence

Abstract

Monatomic nanowires of the nonmagnetic transition metals Ru, Rh, and Pd have been studied theoretically, using first-principles computational techniques, in order to investigate the possible onset of magnetism in these nanosystems. Our fully relativistic spin-polarized all-electron density functional calculations reveal the onset of Hund's rule magnetism in nanowires of all three metals, with mean-field moments of 1.1, 0.3, and 0.7 bohr magnetons, respectively, at the equilibrium bond length. An analysis of the band structures indicates that the nanocontact superparamagnetic state suggested by our calculations should affect the ballistic conductance between tips made of Ru, Rh or Pd, leading to possible temperature and magnetic field dependent conductance.