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

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.