Finite-temperature magnetic properties of Sm2Fe17Nx using an ab initio effective spin model
Finite-temperature magnetic properties of Sm2Fe17Nx using an ab initio effective spin model
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DOI：
10.1103/physrevb.102.214439
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发表时间：
2020-12-28
影响因子：
3.7
通讯作者：
Novak, Pavel
中科院分区：
文献类型：
--
作者：
Yamashita, Shogo;Suzuki, Daiki;Novak, Pavel
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.
