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Nano Lett. 2014 Jul 9;14(7):3869-75. doi: 10.1021/nl501077m. Epub 2014 Jun 19.

Tailoring the electronic structure in bilayer molybdenum disulfide via interlayer twist.

Author information

1
Energy Frontier Research Center, ‡Department of Mechanical Engineering, §Department of Chemistry, and ∥Departments of Physics and Electrical Engineering, Columbia University , New York, New York 10027, United States.

Abstract

Molybdenum disulfide bilayers with well-defined interlayer twist angle were constructed by stacking single-crystal monolayers. Varying interlayer twist angle results in strong tuning of the indirect optical transition energy and second-harmonic generation and weak tuning of direct optical transition energies and Raman mode frequencies. Electronic structure calculations show the interlayer separation changes with twist due to repulsion between sulfur atoms, resulting in shifts of the indirect optical transition energies. These results show that interlayer alignment is a crucial variable in tailoring the properties of two-dimensional heterostructures.

PMID:
24933687
DOI:
10.1021/nl501077m

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