迪拉克半金属Janus Ni-trihalide单层,具有应变调节的磁性异性质和电子性质
Bo Chen1, Xiaocha Wang1, Wenbo Mi2
1Tianjin Key Laboratory of Film Electronic & Communicate Devices, School of Electrical and Electronic Engineering, Tianjin University of Technology, Tianjin 300384, China. wangxc@email.tjut.edu.cn.
Physical chemistry chemical physics : PCCP
|October 24, 2023
概括
这项研究探讨了新的2D Janus Ni-trihalide (Ni2X3Y3) 半导体用于自旋电子. 这些材料具有可调节的电子和磁性,包括铁磁和反铁磁状态,具有先进电子应用的潜力.
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
- 量子化学 是一个量子化学.
背景情况:
- 二维 (2D) 铁磁 (FM) 半导体对于旋电学至关重要.
- 雅努斯尼特三化物 (Ni2X3Y3) 单层呈现了一类新的二维磁性材料.
研究的目的:
- 研究2D Janus Ni2X3Y3 (X,Y = I, Br, Cl; X ≠ Y) 单层的电子和磁性特性.
- 将性能与NiCl3单层作为参考进行比较.
- 探索双轴应变对电子和磁性特性的影响.
主要方法:
- 使用了第一原则计算.
- 分析了电子带结构和磁性基态 (铁磁/反铁磁).
- 计算了磁性异构能量 (MAE) 和基里温度 (Tc).
主要成果:
- Ni2X3Y3单层呈现可调节的半导体和半金属状态.
- 双轴应变可以将半金属状态转换为半导体或金属状态.
- 磁性异构性能量和容易磁化方向受到素元素和应变的影响.
- 库里温度 (Tc) 预计在100K左右.
结论:
- 斯Ni2X3Y3结构扩大了二维磁性材料的库.
- 这些材料对推进自旋电子应用具有重大前景.
- 可调节的电子和磁性特性为未来的设备提供了设计灵活性.
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