Magnetic anisotropies of late transition metal atomic clusters

TL;DR

This study uses Density Functional Theory to examine how magnetic anisotropy influences the structure and magnetic order of small transition metal clusters, emphasizing the importance of spin-orbit interaction inclusion.

Contribution

It demonstrates the critical need to incorporate spin-orbit coupling self-consistently in simulations of magnetic properties of atomic clusters and reveals the lack of universal magnetic anisotropy behavior.

Findings

Spin-orbit interaction is essential for accurate magnetic property simulations.

Magnetic anisotropy varies significantly among different small clusters.

No universal pattern in magnetic anisotropy for small atomic clusters.

Abstract

We analyze the impact of the magnetic anisotropy on the geometric structure and magnetic ordering of small atomic clusters of palladium, iridium, platinum and gold, using Density Functional Theory. Our results highlight the absolute need to include self-consistently the spin orbit interaction in any simulation of the magnetic properties of small atomic clusters, and a complete lack of universality in the magnetic anisotropy of small-sized atomic clusters.