Determination of band alignment in the single-layer MoS2/WSe2 heterojunction

Ming-Hui Chiu, Chendong Zhang, Hung-Wei Shiu, Chih-Piao Chuu, Chang-Hsiao Chen, Chih-Yuan S. Chang, Chia-Hao Chen, Mei-Yin Chou, Chih-Kang Shih () and Lain-Jong Li ()
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Ming-Hui Chiu: Institute of Atomic and Molecular Sciences, Academia Sinica
Chendong Zhang: University of Texas at Austin
Hung-Wei Shiu: National Synchrotron Radiation Research Center
Chih-Piao Chuu: Institute of Atomic and Molecular Sciences, Academia Sinica
Chang-Hsiao Chen: Institute of Atomic and Molecular Sciences, Academia Sinica
Chih-Yuan S. Chang: Institute of Atomic and Molecular Sciences, Academia Sinica
Chia-Hao Chen: National Synchrotron Radiation Research Center
Mei-Yin Chou: Institute of Atomic and Molecular Sciences, Academia Sinica
Chih-Kang Shih: University of Texas at Austin
Lain-Jong Li: Institute of Atomic and Molecular Sciences, Academia Sinica

Nature Communications, 2015, vol. 6, issue 1, 1-6

Abstract: Abstract The emergence of two-dimensional electronic materials has stimulated proposals of novel electronic and photonic devices based on the heterostructures of transition metal dichalcogenides. Here we report the determination of band offsets in the heterostructures of transition metal dichalcogenides by using microbeam X-ray photoelectron spectroscopy and scanning tunnelling microscopy/spectroscopy. We determine a type-II alignment between MoS2 and WSe2 with a valence band offset value of 0.83 eV and a conduction band offset of 0.76 eV. First-principles calculations show that in this heterostructure with dissimilar chalcogen atoms, the electronic structures of WSe2 and MoS2 are well retained in their respective layers due to a weak interlayer coupling. Moreover, a valence band offset of 0.94 eV is obtained from density functional theory, consistent with the experimental determination.

Date: 2015
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DOI: 10.1038/ncomms8666

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