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Journal of Materials Science
Erschienen in: Journal of Materials Science 9/2016

02.02.2016 | Original Paper

Novel optical properties of MoS2 on monolayer zinc tellurium substrate

verfasst von: Xin-lian Chen, Wei-xiao Ji, Chang-wen Zhang, Pei-ji Wang

Erschienen in: Journal of Materials Science | Ausgabe 9/2016

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Abstract

The electronic structure and optical properties of the MoS2/ZnTe monolayer have been investigated through first-principles calculations. According to the different atoms’ parallelism, we have discussed five interface growth configurations: Te–Mo, Te–S, Hollow, Zn–Mo, and Zn–S systems. It has been shown that the monolayer MoS2/ZnTe exhibits semiconducting behavior and the band gap of MoS2 can be effectively tuned to 1.60 or 1.28 eV in MoS2 and ZnTe heterobilayer. An unexpected direct–indirect band gap transition is also observed, which is dependent on the stacking pattern and interlayer spacing on MoS2. The optical properties of MoS2/ZnTe heterobilayer reflect the phenomenon of red shift. The absorption edge of pure monolayer molybdenum disulfide is 0.8 eV, while the absorption edges of Te–Mo, Te–S, Hollow, Zn–Mo, and Zn–S systems become 0 eV. As a potential material, these provide a possible way to design effective FETs out of MoS2 on a ZnTe monolayer.
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Metadaten
Titel
Novel optical properties of MoS2 on monolayer zinc tellurium substrate
verfasst von
Xin-lian Chen
Wei-xiao Ji
Chang-wen Zhang
Pei-ji Wang
Publikationsdatum
02.02.2016
Verlag
Springer US
Erschienen in
Journal of Materials Science / Ausgabe 9/2016
Print ISSN: 0022-2461
Elektronische ISSN: 1573-4803
DOI
https://doi.org/10.1007/s10853-016-9771-4

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