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Research Article

Semiconducting M2X (M = Cu, Ag, Au; X = S, Se, Te) monolayers: A broad range of band gaps and high carrier mobilities

Lei Gao1,2, Yan-Fang Zhang1, Shixuan Du1,3( )
Institute of Physics & University of Chinese Academy of Sciences, Chinese Academy of Sciences, Beijing 100190, China
Faculty of Science, Kunming University of Science and Technology, Kunming 650000, China
CAS Key Laboratory of Vacuum Physics, Beijing 100049, China
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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.

Keywords

two-dimensional semiconductorsgroup-11-chalcogenideselectronic propertiesfirst-principles calculations

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Nano Research
Volume 14 Issue 8,
August 2021
Pages 2826-2830
DOI: 10.1007/s12274-021-3294-2
Cite this article:
Gao L, Zhang Y-F, Du S. Semiconducting M2X (M = Cu, Ag, Au; X = S, Se, Te) monolayers: A broad range of band gaps and high carrier mobilities. Nano Research, 2021, 14(8): 2826-2830. https://doi.org/10.1007/s12274-021-3294-2
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Received: 10 October 2020
Revised: 09 December 2020
Accepted: 13 December 2020
Published: 05 June 2021
© Tsinghua University Press and Springer-Verlag GmbH Germany, part of Springer Nature 2021
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