@article{Gao2021, 
author = {Lei Gao and Yan-Fang Zhang and Shixuan Du},
title = {Semiconducting M2X (M = Cu, Ag, Au; X = S, Se, Te) monolayers: A broad range of band gaps and high carrier mobilities},
year = {2021},
journal = {Nano Research},
volume = {14},
number = {8},
pages = {2826-2830},
keywords = {first-principles calculations, two-dimensional semiconductors, electronic properties, group-11-chalcogenides},
url = {https://www.sciopen.com/article/10.1007/s12274-021-3294-2},
doi = {10.1007/s12274-021-3294-2},
abstract = {Two-dimensional semiconductors (2DSCs) with appropriate band gaps and high mobilities are highly desired for future-generation electronic and optoelectronic applications. Here, using first-principles calculations, we report a novel class of 2DSCs, group-11-chalcogenide monolayers (M2X, M = Cu, Ag, Au; X = S, Se, Te), featuring with a broad range of energy band gaps and high carrier mobilities. Their energy band gaps extend from 0.49 to 3.76 eV at a hybrid density functional level, covering from ultraviolet-A, visible light to near-infrared region, which are crucial for broadband photoresponse. Significantly, the calculated room-temperature carrier mobilities of the M2X monolayers are as high as thousands of cm2·V-1·s-1. Particularly, the carrier mobilities of η-Au2Se and ε-Au2Te are up to 104 cm2·V-1·s-1, which is very attracitive for electronic devices. Benefitting from the broad range of energy band gaps and superior carrier mobilities, the group-11-chalcogenide M2X monolayers are promising candidates for future-generation nanoelectronics and optoelectronics.}
}