Spectroscopic studies of atomic defects and bandgap renormalization in semiconducting monolayer transition metal dichalcogenides

Tae Young Jeong, Hakseong Kim, Sang-Jun Choi, Kenji Watanabe, Takashi Taniguchi, Ki Ju Yee, Yong-Sung Kim () and Suyong Jung ()
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Tae Young Jeong: Korea Research Institute of Standards and Science
Hakseong Kim: Korea Research Institute of Standards and Science
Sang-Jun Choi: Institute for Basic Science
Kenji Watanabe: National Institute for Materials Science
Takashi Taniguchi: National Institute for Materials Science
Ki Ju Yee: Chungnam National University
Yong-Sung Kim: Korea Research Institute of Standards and Science
Suyong Jung: Korea Research Institute of Standards and Science

Nature Communications, 2019, vol. 10, issue 1, 1-10

Abstract: Abstract Assessing atomic defect states and their ramifications on the electronic properties of two-dimensional van der Waals semiconducting transition metal dichalcogenides (SC-TMDs) is the primary task to expedite multi-disciplinary efforts in the promotion of next-generation electrical and optical device applications utilizing these low-dimensional materials. Here, with electron tunneling and optical spectroscopy measurements with density functional theory, we spectroscopically locate the mid-gap states from chalcogen-atom vacancies in four representative monolayer SC-TMDs—WS2, MoS2, WSe2, and MoSe2—, and carefully analyze the similarities and dissimilarities of the atomic defects in four distinctive materials regarding the physical origins of the missing chalcogen atoms and the implications to SC-mTMD properties. In addition, we address both quasiparticle and optical energy gaps of the SC-mTMD films and find out many-body interactions significantly enlarge the quasiparticle energy gaps and excitonic binding energies, when the semiconducting monolayers are encapsulated by non-interacting hexagonal boron nitride layers.

Date: 2019
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DOI: 10.1038/s41467-019-11751-3

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