Finite-temperature magnetic properties of Sm2Fe17Nx using an ab-initio effective spin model

TL;DR

This paper models the finite-temperature magnetic behavior of Sm2Fe17Nx compounds using an ab-initio derived effective spin model, revealing how different Sm valence states influence magnetic properties.

Contribution

It introduces an effective spin model based on first-principles calculations to describe the magnetic properties of Sm2Fe17Nx, highlighting the impact of Sm valence states.

Findings

Trivalent Sm3+ configuration models magnetization curves of Sm2Fe17N3.

Divalent Sm2+ configuration models magnetization curves of Sm2Fe17.

Electronic structure significantly influences magnetic properties.

Abstract

In this study, we investigate the finite-temperature magnetic properties of Sm2Fe17Nx (x = 0,3) using an effective spin model constructed based on the information obtained by first-principles calculations. We find that assuming the plausible trivalent Sm3+ configuration results in a model that can satisfactorily describe the magnetization curves of Sm2Fe17N3. By contrast, the model based on the divalent Sm2+ configuration is suitable to reproduce the magnetization curves of Sm2Fe17. These results expand the understanding of how electronic structure affects the magnetic properties of these compounds.