Engineering Point Defect States in Monolayer WSe2

Chendong Zhang, Cong Wang, Feng Yang, Jing-Kai Huang, Lain-Jong Li, Wang Yao, Wei Ji, Chih-Kang Shih

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39 Scopus citations

Abstract

Defect engineering is a key approach for tailoring the properties of the emerging two-dimensional semiconductors. Here, we report an atomic engineering of the W vacancy in monolayer WSe2 by single potassium atom decoration. The K decoration alters the energy states and reshapes the wave-function such that previously hidden mid-gap states become visible with well-resolved multiplets in scanning tunneling spectroscopy. Their energy levels are in good agreement with first principle calculations. More interestingly, the calculations show that an unpaired electron donated by the K atom can lead to a local magnetic moment, exhibiting an on-off switching by the odd-even number of electron filling. Experimentally the Fermi level is pinned above all defect states due to the graphite substrate, corresponding to an off state. The close agreement between theory and experiment in the off state, on the other hand, suggest a possibility of gate-programmable magnetic moments at the defects.
Original languageEnglish (US)
JournalACS Nano
DOIs
StatePublished - Feb 11 2019

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: This work was supported by the National Key R&D Program of China (Grant No. 2018FYA0305800), the National Natural Science Foundation of China (Grant No. 11774268, 11622437 and 61674171), the US National Science Foundation (DMR-1306878, DMR-1720595, DMR-1808751 and EFMA-1542747), the Welch Foundation (F-1672), the KAUST (Saudi Arabia), the Academia Sinica (Taiwan) and AOARD-134137 (USA), the Croucher Foundation (Croucher Innovation Award), the RGC of HKSAR (C7036-17W), the Strategic Priority Research Program of Chinese Academy of Sciences (Grant No. XDB30000000), the Fundamental Research Funds for the Central Universities of China and the Research Funds of Renmin University of China (Grant No. 16XNLQ01). C.W. was supported by the Outstanding Innovative Talents Cultivation Funded Programs 2017 of Renmin University of China. Calculations were performed at the Physics Lab of High-Performance Computing of Renmin University of China and the Shanghai Supercomputer Center.

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