磁性材料的实验交换相互作用数据集:自旋波到MC模拟
Mojtaba Alaei1,2, Zahra Mosleh3, Nafise Rezaei4
1Skolkovo Institute of Science and Technology, Bolshoy Boulevard 30, bld. 1, Moscow, 121205, Russia. m.alaei@skoltech.ru.
Scientific data
|November 19, 2025
概括
这项研究标准化了磁性材料的不弹性中子散射 (INS) 数据,创建了交换相互作用的统一数据集. 这个资源可以使用模拟来改善磁过渡温度 (Tc) 的预测.
科学领域:
- 凝聚物质物理学 凝聚物质物理学
- 材料科学 是一种材料科学.
- 磁力学 磁力学 是一种
背景情况:
- 不弹性中子散射 (INS) 揭示了材料中的微观磁相互作用.
- 提取这些相互作用需要将自旋波分散与海森堡哈密尔顿理论相匹配.
- 目前的数据集是分散的,阻碍了可访问性和可重复性.
研究的目的:
- 从INS实验中编译和标准化交换交互数据.
- 为近100种磁性材料创建一个统一的数据集.
- 提高磁相互作用数据的可访问性和实用性.
主要方法:
- 从公布的INS实验中收集和标准化交换交互数据.
- 使用统一的海森伯格模型格式化数据.
- 生成的晶体结构可视化和蒙特卡洛模拟文件 (ESpinS).
主要成果:
- 开发了一套实验性衍生交换相互作用的综合数据集.
- 使用经典的蒙特卡洛模拟计算磁过渡温度 (Tc).
- 证明 (S+1)/S校正改善了模拟和实验Tc值之间的一致性.
结论:
- 标准化数据集促进了凝聚物质物理学和材料科学方面的研究.
- 开放的数据和资源促进了可复制性和进一步的研究.
- 这些发现为理解和预测磁性质提供了宝贵的资源.
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