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

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 (M 2 X, M = Cu, Ag,...

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Published in:Nano research Vol. 14; no. 8; pp. 2826 - 2830
Main Authors: Gao, Lei, Zhang, Yan-Fang, Du, Shixuan
Format: Journal Article
Language:English
Published: Beijing Tsinghua University Press 01.08.2021
Subjects:
Atomic/Molecular Structure and Spectra
Biomedicine
Biotechnology
Broadband
Chalcogenides
Chemistry and Materials Science
Condensed Matter Physics
Copper
Crystals
Electronic devices
Electronic equipment
Energy
Energy bands
Energy gap
First principles
Gold
Infrared radiation
Materials Science
Mathematical analysis
Monolayers
Nanoelectronics
Nanotechnology
Optoelectronics
Photoresponse
Research Article
Room temperature
Silver
Tellurium
Ultraviolet radiation
two-dimensional semiconductors
first-principles calculations
group-11-chalcogenides
electronic properties
ISSN:1998-0124, 1998-0000
Online Access:Get full text
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Summary: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 (M 2 X, 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 M 2 X monolayers are as high as thousands of cm 2 ·V −1 ·s −1 . Particularly, the carrier mobilities of η-Au 2 Se and ε-Au 2 Te are up to 10 4 cm 2 ·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 M 2 X monolayers are promising candidates for future-generation nanoelectronics and optoelectronics.
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content type line 14
ISSN:1998-0124
1998-0000
DOI:10.1007/s12274-021-3294-2