Magnetism in systems with various dimensionality: A comparison between Fe and Co

TL;DR

This study systematically compares the magnetic properties of Fe and Co systems across different dimensions using ab initio calculations, highlighting differences in sum rule validity and substrate-induced moments.

Contribution

It provides a comparative analysis of Fe and Co magnetic moments and sum rule validity across various low-dimensional structures using first-principles methods.

Findings

Fe monatomic wires exhibit a larger <Tz> term than Co wires.

Qualitative similarities between Fe and Co systems in magnetic behavior.

Induced moments in Pt substrates are analyzed.

Abstract

A systematic ab initio study is performed for the spin and orbital moments and for the validity of the sum rules for x-ray magnetic circular dichroism for Fe systems with various dimensionality (bulk, Pt-supported monolayers and monatomic wires, free-standing monolayers and monatomic wires). Qualitatively, the results are similar to those for the respective Co systems, with the main difference that for the monatomic Fe wires the <Tz> term in the spin sum rule is much larger than for the Co wires. The spin and orbital moments induced in the Pt substrate are also discussed.