Fe clusters on Ni and Cu: size and shape dependence of the spin moment

TL;DR

This study uses ab-initio calculations to analyze how the size and shape of small Fe clusters on Ni and Cu surfaces influence their spin moments, providing a simple rule to predict magnetic properties based on atomic coordination.

Contribution

It introduces a straightforward quantitative rule linking Fe atom spin moments to their coordination number, enabling easy prediction of magnetic properties in Fe clusters.

Findings

Spin moments depend on cluster size and shape.

A linear relation between spin moment and coordination number.

Predictive rule for magnetic moments based on atomic positions.

Abstract

We present ab-initio calculations of the electronic structure of small Fe clusters (1-9 atoms) on Ni(001), Ni(111), Cu(001) and Cu(111) surfaces. Emphasis is given on the spin moments, and their dependence on cluster size and shape. We derive a simple quantitative rule, which relates the moment of each Fe atom linearly to its coordination number. Thus, for an arbitrary Fe cluster the spin moment of the cluster and of the individual Fe atoms can be readily found if the positions of the atoms are known.