具有立方结构的巡回铁磁磁体的磁异性和Jahn-Teller扭曲
Changhoon Lee1,2, Taesu Park3, Hyun-Joo Koo4
1Max Planck POSTECH Center for Complex Phase of Materials, Pohang University of Science and Technology, Pohang 37673, Republic of Korea.
Inorganic chemistry
|May 30, 2025
概括
单硫化 (美国) 具有强大的单轴磁性,与立方铁 (α-Fe) 不同,由于对极化很大. 这种差异与美国的弱Jahn-Teller扭曲有关,在其他磁体中缺席.
科学领域:
- 凝聚物质物理学 凝聚物质物理学
- 材料科学 材料科学 材料科学
- 计算材料科学科学 计算材料科学
背景情况:
- 像铁 (α-Fe) 这样的立方铁磁体通常缺乏单轴磁性.
- 单硫化 (美国),尽管它的立方结构,显示出非常强的单轴磁性.
研究的目的:
- 调查α-Fe和US之间对比的单轴磁性的根本原因.
- 为了确定磁晶异性能量 (MAE) 与漫游铁磁体中的对极化之间的关系.
主要方法:
- 使用密度函数理论 (DFT) 的计算.
- 为α-Fe,FeNi和US计算了MAE,部分状态密度 (PDOS) 和对极化指数 (Δp).
- 将结果与MnAl和SmCo的现有数据进行比较.
主要成果:
- MAE和Δp值以以下顺序增加:α-Fe < FeNi < MnAl < SmCo5 < US.
- 美国和α-Fe之间单轴磁性的显著差异归因于它们不同的对极化.
- 在美国发现了一个弱的Jahn-Teller扭曲,与其铁磁过渡相关.
结论:
- 双极化是巡回铁磁磁体中控制单轴磁性的关键因素.
- 美国的Jahn-Teller不稳定性源于强烈的对极化.
- 其他永久磁体的弱共价键可以防止类似的Jahn-Teller不稳定性.
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