在双层中堆叠控制的磁性异性转换Janus Mn2Cl3Br3
Yanle Liang1, Heng Gao1, Hui Zhang1
1Physics Department, Materials Genome Institute, Shanghai Engineering Research Center for Integrated Circuits and Advanced Display Materials, Institute for Quantum Science and Technology, International Centre of Quantum and Molecular Structures, Shanghai University, Shanghai 200444, China. gaoheng@shu.edu.cn.
Physical chemistry chemical physics : PCCP
|June 18, 2025
概括
Bilayer Janus Mn2Cl3Br3 显示可调节的磁性异性质能量 (MAE) 在平面内和平面外的方向之间切换,由堆叠和素相互作用驱动. 这一发现是设计新型二维自旋电子材料的关键.
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
- 量子化学 是一个量子化学.
背景情况:
- 二维 (2D) 范德瓦尔斯磁铁提供可调节的电子和磁性特性.
- 磁性异构能量 (MAE) 对于自旋电子设备的应用至关重要.
- 雅努斯材料,在对立的表面上有不同的元素,提供独特的功能.
研究的目的:
- 在两层 Janus Mn2Cl3Br3.3 中研究可调节的磁性异构性能量 (MAE).
- 了解堆叠配置和素特异性轨道相互作用对MAE的影响.
- 探索设计二维自旋电子材料的潜力.
主要方法:
- 使用密度函数理论 (DFT) 的计算.
- 进行了堆叠配置 (AA和AB) 的分析.
- 研究了轨道相互作用和磁交换相互作用.
主要成果:
- 在双层的AA堆叠Janus Mn2Cl3Br3诱导一个可切换的MAE从内平面到外平面.
- 这种切换归因于压缩的Mn-Br层间距离和Br轨道贡献.
- 由于的轨道相互作用,Mn2Br3I3和Mn2Cl3I3保持在平面内MAE.
- AA堆叠增强了垂直磁交换异构性,而AB堆叠保留了平面内MAE.
结论:
- 堆叠顺序和素组成在双层中对MAE进行了临界控制Janus Mn2Cl3Br3.3.
- 这些发现为2D范德瓦尔斯磁铁的工程MAE提供了途径.
- 这项研究有助于设计先进的二维自旋电子材料.
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