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.
@article{arxiv.2012.08120,
title = {Finite-temperature magnetic properties of Sm2Fe17Nx using an ab-initio effective spin model},
author = {Shogo Yamashita and Daiki Suzuki and Takuya Yoshioka and Hiroki Tsuchiura and Pavel Novák},
journal= {arXiv preprint arXiv:2012.08120},
year = {2021}
}
Comments
8 pages, 3 figures. In FIG. 2.(c) and (d) of the paper published by Phys. Rev. B, there are several mistakes concerning the plots. In FIG. 2. (c), the symbols of the curves that trivalent [120] direction and divalent [001] direction are missing. In FIG. 2. (d), the symbols of the curve that trivalent [120] direction are missing. We have corrected them