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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.

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• Creative Commons BY Attribution 4.0 International
  

Keyword: Atomic defect states, transition metal dichalcogenides, electron tunneling

Date published: 2019-08-23

Publisher: Springer Science and Business Media LLC

Journal:

• Nature Communications (ISSN: 20411723) vol. 10 issue. 1 3825

Funding:

• Korea Research Institute of Standards and Science KRISS-2018-GP2018-0019
• National Research Foundation of Korea NRF-2016R1A2B4008816
• National Research Foundation of Korea NRF-2019R1A2C2004007

Manuscript type: Publisher's version (Version of record)

MDR DOI:

First published URL: https://doi.org/10.1038/s41467-019-11751-3

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Updated at: 2025-02-23 22:49:52 +0900

Published on MDR: 2025-02-23 22:49:52 +0900