Mechanical properties of lateral transition metal dichalcogenide heterostructures

Transition metal dichalcogenide (TMD) monolayers attract great attention due to their specific structural, electronic and mechanical properties. The formation of their lateral heterostructures allows a new degree of flexibility in engineering electronic and optoelectronic devices. However, the mecha...

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Bibliographic Details
Published in:arXiv.org 2020-09
Main Authors: Sadegh Imani Yengejeh, Wen, William, Wang, Yun
Format: Article
Language:English
Subjects:
Chalcogenides
Density functional theory
Electronic devices
Heterostructures
Mechanical properties
Molybdenum
Molybdenum compounds
Molybdenum disulfide
Monolayers
Optoelectronic devices
Phases
Selenides
Stiffness
Transition metal compounds
Tungsten compounds
Tungsten disulfide
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Summary:Transition metal dichalcogenide (TMD) monolayers attract great attention due to their specific structural, electronic and mechanical properties. The formation of their lateral heterostructures allows a new degree of flexibility in engineering electronic and optoelectronic devices. However, the mechanical properties of the lateral heterostructures are rarely investigated. In this study, a comparative investigation on the mechanical characteristics of 1H, 1T' and 1H/1T' heterostructure phases of different TMD monolayers including molybdenum disulfide (MoS2) molybdenum diselenide (MoSe2), Tungsten disulfide (WS2), and Tungsten diselenide (WSe2) was conducted by means of density functional theory (DFT) calculations. Our results indicate that the lateral heterostructures have a relatively weak mechanical strength for all the TMD monolayers. The significant correlation between the mechanical properties of the TMD monolayers and their structural phases can be used to tune their stiffness of the materials. Our findings, therefore, suggest a novel strategy to manipulate the mechanical characteristics of TMDs by engineering their structural phases for their practical applications.
ISSN:2331-8422