什么限制了二维金属二甲基体中的电子和孔的内在运动?
1Texas Materials Institute and Department of Mechanical Engineering , The University of Texas at Austin , Austin , Texas 78712 , United States.
Journal of the American Chemical Society
|September 25, 2018
概括
在二维 (2D) 金属二基因化物 (MX2) 中,内在载体的移动性受到声子散射的限制,而不是有效质量. 可以预测高流动性的二维半导体.
科学领域:
- 材料科学
- 凝聚物质物理学
- 半导体物理
背景情况:
- 二维金属二二烯化物 (MX2) 是具有多种应用的有前途的二维半导体.
- 在MX2的低电子/孔流动性阻碍了它们的技术进步.
- 了解移动性限制对于发现优质的二维半导体材料至关重要.
研究的目的:
- 研究各种二维MX2材料的内在载体移动性限制.
- 确定控制运营商移动性的关键因素,并挑战现有的理论.
- 为选高流动性二维半导体候选产品开发一个实用的描述器.
主要方法:
- 使用了密度功能扰乱理论 (DFPT).
- 使用电子-声子矩阵的Wannier插值.
- 对各种MX2材料进行了全面研究.
主要成果:
- 大多数MX2的内在载体移动性受到纵向光学 (LO) 声波散射和MoS2和WS2的纵向声波散射的限制.
- 移动性与有效质量无关或不符合变形潜力理论的预测.
- LO散射强度与波恩有效电荷相关,表明极化作用.
结论:
- 生成的有效电荷是用于选高流动性的2D MX2半导体的可靠描述符.
- 这项研究阐明了控制2D半导体载体移动性的基本因素.
- 这些发现为合理设计和开发先进的二维材料铺平了道路.
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