Topological effects in magnetic platinum nano-particles

TL;DR

This study uses first-principle calculations to explore how topological atomic arrangements influence the magnetic properties of platinum nano-particles, revealing size-dependent magnetization effects driven by atomic charge transfer.

Contribution

It demonstrates the impact of local atomic geometry and charge transfer on magnetization in platinum nano-particles, a novel insight into their magnetic behavior.

Findings

Magnetization varies with atomic arrangement and size.

Enhanced magnetization around five-fold axes.

Charge transfer from subsurface to vertex atoms affects magnetism.

Abstract

The magnetic properties of platinum nano-particles ranging in size from a few to up 300 atoms are investigated through first-principle calculations. It is found that the total magnetization depends strongly on the local atomic rearrangements, with an enhancement around five-fold axis. This is due to an elongation of the nearest neighbor distance together with a contraction of the 2$^{nd}$ distance, resulting in a net interatomic partial charge transfer from the atoms lying on the sub-surface layer (donor) towards the vertexes (acceptor).