论文标题
在室温下发现和理解具有较高固有载体迁移率的2D半导体
Discovering and Understanding 2D Semiconductors with High Intrinsic Carrier Mobility at Room Temperature
论文作者
论文摘要
二维（2D）半导体表现出了下一代电子和光电子的巨大潜力。但是，当前的2D半导体在室温下固有较低的载流子迁移率很大，这大大限制了其应用。在这里，我们发现了各种新的2D半导体，其移动性比当前高度高。该发现是通过为2D材料数据库的高通量计算筛选开发有效的描述符而进行的，然后使用最先进的第一原理方法来准确计算移动性。进一步的分析将它们的特殊迁移率归因于小有效质量，高声速，高光学声子频率，诞生电荷与极化性和/或弱电子 - 音波耦合的小比例。我们的工作打开了新材料，以实现以前难以实现的高设备性能和/或外来物理学，并提高对载体运输机制的理解。
Two-dimensional (2D) semiconductors have demonstrated great potential for next-generation electronics and optoelectronics. However, the current 2D semiconductors suffer from intrinsically low carrier mobility at room temperature, which significantly limits its applications. Here we discover a variety of new 2D semiconductors with mobility one order of magnitude higher than the current ones. The discovery is made by developing effective descriptors for high-throughput computationally screening of the 2D materials database, followed by using state-of-the-art first principles method to accurately calculate the mobility. Further analyses attribute their exceptional mobilities to small effective mass, high sound velocity, high optical phonon frequency, small ratio of Born charge vs. polarizability, and/or weak electron-phonon coupling. Our work opens up new materials to realize high device performance and/or exotic physics that are difficult to achieve previously, and improves the understanding of the carrier transport mechanism.
