通过空缺和兴奋剂改变化半导体单层的电子和磁性
Vo Van On1, J Guerrero-Sanchez2, D M Hoat3,4
1Center for Forecasting Study, Institute of Southeast Vietnamese Studies, Thu Dau Mot University, Binh Duong Province, Vietnam.
Physical chemistry chemical physics : PCCP
|January 12, 2024
概括
调查化 (ScN) 单层揭示了空缺和兴奋剂可以诱导磁性. 这种功能化为先进的二维自旋电子和光电子设备提供了潜力.
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
- 计算化学计算化学
背景情况:
- 化 (ScN) 是一种稳定的二维材料,具有潜在的应用.
- 了解其电子和磁性特性对于设备开发至关重要.
研究的目的:
- 调查空缺和兴奋剂对ScN单层特性的影响.
- 探索ScN在自旋电子和光电子应用中的潜力.
主要方法:
- 第一个原则计算 (GGA-PBE和HSE06函数).
- 对状态的预测密度,电荷分布和电子定位函数的分析.
主要成果:
- 纯 ScN 是一种具有间接带间隙的 2D 半导体.
- Sc空位诱导显著的磁力 (3.00 μB),N空位较弱的磁力 (0.52 μB).
- 用受体杂质 (例如,Li,Na,B) 进行兴奋剂会诱导磁性半导体或半金属特性.
- 兴奋剂减少了82%的频段间隙,增强了光电子潜力.
结论:
- 空位和特定的补充剂可以有效调整ScN的电子和磁性特性.
- 功能化的ScN单层显示出对2D自旋电子和光电子应用的希望.
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