Theoretical prediction of high electron mobility in multilayer MoS2 heterostructured with MoSe2

Two-dimensional (2D) MoS2 has been considered to be one of the most promising semiconducting materials with the potential to be used in novel nanoelectronic devices. High carrier mobility in the semiconductor is necessary to guarantee a low power dissipation and a high switch speed of the correspond...

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Bibliographic Details
Published in:The Journal of chemical physics 2018-01, Vol.148 (1), p.014704-014704
Main Authors: Ji, Liping, Shi, Juan, Zhang, Z. Y., Wang, Jun, Zhang, Jiachi, Tao, Chunlan, Cao, Haining
Format: Article
Language:English
Subjects:
Carrier mobility
Carrier transport
Charge transport
Deformation effects
Electron mass
Electron mobility
Electrons
First principles
Heterostructures
Molybdenum disulfide
Multilayers
Nanoelectronics
Nanotechnology devices
Transport properties
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Summary:Two-dimensional (2D) MoS2 has been considered to be one of the most promising semiconducting materials with the potential to be used in novel nanoelectronic devices. High carrier mobility in the semiconductor is necessary to guarantee a low power dissipation and a high switch speed of the corresponding electronic device. Strain engineering in 2D materials acts as an important approach to tailor and design their electronic and carrier transport properties. In this work, strain is introduced to MoS2 through perpendicularly building van der Waals heterostructures MoSe2–MoS2. Our first-principles calculations demonstrate that acoustic-phonon-limited electron mobility can be significantly enhanced in the heterostructures compared with that in pure multilayer MoS2. It is found that the effective electron mass and the deformation potential constant are relatively smaller in the heterostructures, which is responsible for the enhancement in the electron mobility. Overall, the electron mobility in the heterostructures is about 1.5 times or more of that in pure multilayer MoS2 with the same number of layers for the studied structures. These results indicate that MoSe2 is an excellent material to be heterostructured with multilayer MoS2 to improve the charge transport property.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4998672