基于第一性原理有效自旋模型的 Sm2Fe17Nx 有限温度磁性质
材料科学
2021-04-05 v3
摘要
在本研究中，我们利用基于第一性原理计算所获得的信息构建的有效自旋模型，研究了 Sm2Fe17Nx（x = 0,3）的有限温度磁性质。我们发现，假设合理的三价 Sm3+ 构型可得到一个能够满意描述 Sm2Fe17N3 磁化曲线的模型。相比之下，基于二价 Sm2+ 构型的模型适用于重现 Sm2Fe17 的磁化曲线。这些结果拓展了对电子结构如何影响这些化合物磁性质的理解。
引用
@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}
}
备注
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