磁弹性和磁电合在二维化物MXenes:一个密度功能理论研究研究
Sukhito Teh1, Horng-Tay Jeng1,2,3
1Department of Physics, National Tsing Hua University, Hsinchu 30013, Taiwan.
Nanomaterials (Basel, Switzerland)
|October 14, 2023
概括
化物MXenes作为二维 (2D) 多铁性材料具有前景,具有独特的磁性和铁电性质. 这些材料可以实现先进的数据存储和螺旋电子技术.
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
- 纳米技术纳米技术
背景情况:
- 二维 (2D) 多铁材料对于下一代电子产品至关重要,为高密度,低功耗数据存储和自旋电子提供了潜力.
- 2011年发现的2D过渡金属碳化物和化物的家族MXenes已成为各种科学学科的关键研究对象.
研究的目的:
- 研究特定的化物MXenes的结构,电子和磁性特性.
- 探索这些材料在多铁应用中的潜力.
主要方法:
- 使用第一原则计算来分析格子结构,电子带间隙和磁性排序.
- 这项研究重点是化物MXenes,如V2NF2,V2NO2,Cr2NF2,Mo2NO2,Mo2NF2和Mn2NO2,以及詹纳斯变种.
主要成果:
- 几种化物MXenes表现出内在带间隙和轨道顺序,这可能导致磁弹性或磁电合.
- Cr2被确定为一种具有合螺旋磁顺序和应变的铁弹性材料.
- 铁电相在V2NO2,Cr2NF2和Mo2NF2中被观察到作为激发状态,具有合的磁顺序和极移.
- 在Janus MXenes中也发现了磁电合效应 (V8N4O7F,Cr8N4F7O,Mo8N4F7O).
- Mo8N4F7O阶段,以轨道顺序为特征,通过外部应变或电场演示了可切换性.
结论:
- 化物MXenes对于2D多铁应用具有有前途的特性.
- 观察到的磁电合和可切换相突出显示了它们对先进电子设备的潜力.
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