通过轴应变介导的六角MnCoGe合金中的磁性相位过渡和磁热效应:蒙特卡洛研究
Chenyu Zhang1, Zhengming Zhang2, Dunhui Wang2
1Department of Physics, College of Sciences, Northeastern University, Shenyang 110819, China. huyong@mail.neu.edu.cn.
Physical chemistry chemical physics : PCCP
|January 6, 2025
概括
将轴应变应用于六边形MnCoGe合金可以控制磁性. 压缩应变稳定了铁磁状态并增加了磁相过渡温度,而拉伸应变则诱导了反铁磁状态.
科学领域:
- 材料科学 材料科学 材料科学
- 凝聚物质物理学 凝聚物质物理学
- 计算材料科学科学 计算材料科学
背景情况:
- 六角MnCoGe合金在室温附近表现出有趣的磁性特性.
- 控制磁相变和磁热效应对于技术应用至关重要.
研究的目的:
- 通过数值研究轴向应变对六角MnCoGe合金中的磁相转换和磁热效应的影响.
- 了解应变如何影响磁稳定性和相位过渡温度.
主要方法:
- 使用了第一原则计算和蒙特卡洛模拟.
- 使用SPR-KKR代码量化磁交换合器.
- 分析了沿c轴变化的压力和拉力应变的影响.
主要成果:
- 压缩应变稳定铁磁状态,而拉伸应变有利于反铁磁状态.
- 磁相过渡温度随着压缩应变 (0%至 -7.8%) 单调地增加,从284K到319K.
- 最大磁变化在应变下降,但发生在更高的温度下.
结论:
- 轴应变有效地控制了六角MnCoGe合金中的磁相转换和磁热性质.
- 应变增强了磁稳定性,并允许通过磁场对磁热效应进行线性控制.
- 这些发现为先进的应用提供了对应变调节磁性材料的见解.
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