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Step-like band alignment and stacking-dependent band splitting in trilayer TMDs heterostructures

Abstract

We propose for the first time a kind of van der Waals (vdW) heterostructures composed of three distinct transition-metal dichalcogenides (TMDs) monolayers, where step-like band alignment could be realized. In this case, excitons can be spatially separated into constituent top and bottom layers segregated by the middle layer. In the light of the reduced binding energy and long lifetime of the interlayer excitons, trilayer TMDs heterostructures hold great promise in applications in such as solar cells and light-harvesting. In addition, the heterostructures with different constituents and stacking orders give rise to distinct band offset between neighboring layers. Other factors, like strain and SOC, also have apparent effects on the band offset. Our results reveal that 2H stacking can enhance valence band splitting, while 3R stacking has a significant influence on conduction band splitting. On account of the proper step-like band alignment and stacking-dependent band splitting, this trilayer TMDs heterostructures also provide great potential in applications in spintronics.

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Publication details

The article was received on 15 Aug 2018, accepted on 06 Sep 2018 and first published on 07 Sep 2018


Article type: Paper
DOI: 10.1039/C8CP05200J
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    Step-like band alignment and stacking-dependent band splitting in trilayer TMDs heterostructures

    H. Wang, W. Wei, F. Li, B. Huang and Y. Dai, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C8CP05200J

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