外部电场诱导的波段间隙调节和F-功能化的二维sc2的量子电容
She-Hui Yin1, Xiao-Hong Li2, Rui-Zhou Zhang2
1Physical Teaching and Research of Fundamental Teaching Section, Henan Polytechnic Institute, Nanyang 473000, China.
ACS omega
|August 14, 2023
概括
外部电场调整 Sc2CF2CF2 的电场.
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:
- 碳化 (Sc2CF2) 是一种具有纳米电子潜力的二维材料.
- 了解其在外部刺激下的电子特性对于设备应用至关重要.
研究的目的:
- 研究外部电场对Sc2CF2电子特性的影响.
- 探索其适用于纳米电子和纳米光子应用的适用性.
主要方法:
- 使用密度函数计算.
- 对频段间隙调制和在电场下电荷分布的分析.
主要成果:
- Sc2CF2在零场时表现出0.959 eV的间接带间隙.
- 阳性电场诱导半导体到金属的过渡.
- 负电场会导致半导体到绝缘体的过渡.
- Sc2CF2 保持了阴极材料的特性,由负电场增强.
结论:
- 外部电场显著调节 Sc2CF2 的电子和量子电容性质.
- Sc2CF2显示为纳米电子设备的可调性阴极材料的承诺.
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