论文标题
单层碘化物（CUI）具有直接宽带隙的创纪录的低导热率
The record low thermal conductivity of monolayer Cuprous Iodide (CuI) with direct wide bandgap
论文作者
论文摘要
二维材料由于批量同行所特有的出色特性而吸引了许多研究兴趣。在本文中，从最先进的第一原理中，我们预测了γ-CUI（杯形杯状）单层的稳定结构，该结构是P型宽带隙半导体。单层CUI在电子，光学和热运输特性方面具有多功能优势。具体而言，预测单层CUI的超速导热率为0.116 WM-1K-1，其远低于γ-CUI（0.997 WM-1K-1）和其他典型的半导体。此外，在单层CUI中发现了3.57 eV的Ultrawide Direct带隙，该CUI大于γ-CUI（2.95-3.1 eV），可促进具有更好的光学性能的纳米/光电上的应用。如本研究中报道的那样，单层CUI的超动热导率和直接的宽带隙将承诺其在透明和可穿戴电子产品中的潜在应用。
Two-dimensional materials have attracted lots of research interests due to the fantastic properties that are unique to the bulk counterparts. In this paper, from the state-of-the-art first-principles, we predicted the stable structure of monolayer counterpart of the γ-CuI (Cuprous Iodide), which is a p-type wide bandgap semiconductor. The monolayer CuI presents multifunctional superiority in terms of electronic, optical, and thermal transport properties. Specifically, the ultralow thermal conductivity of 0.116 Wm-1K-1 is predicted for monolayer CuI, which is much lower than γ-CuI (0.997 Wm-1K-1) and other typical semiconductors. Moreover, an ultrawide direct bandgap of 3.57 eV is found in monolayer CuI, which is larger than γ-CuI (2.95-3.1 eV), promoting the applications in nano-/optoelectronics with better optical performance. The ultralow thermal conductivity and direct wide bandgap of monolayer CuI as reported in this study would promise its potential applications in transparent and wearable electronics.
