论文标题
使用AB-Initio有效自旋模型的SM2FE17NX的有限温度磁性
Finite-temperature magnetic properties of Sm2Fe17Nx using an ab-initio effective spin model
论文作者
论文摘要
在这项研究中，我们使用基于First-Principles计算获得的信息构建的有效自旋模型研究了SM2FE17NX（X = 0,3）的有限温度磁性。我们发现，假设合理的三价SM3+构型会导致一个模型可以令人满意地描述SM2FE17N3的磁化曲线。相比之下，基于二价SM2+配置的模型适合重现SM2FE17的磁化曲线。这些结果扩展了对电子结构如何影响这些化合物的磁性特性的理解。
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.
