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Title: Tunable inverted gap in monolayer quasi-metallic MoS2 induced by strong charge-lattice coupling
Authors: Yin, Xinmao 
Wang, Qixing 
Cao, Liang 
Tang, Chi Sin
Luo, Xin 
Zheng, Yujie 
Wong, Lai Mun
Wang, Shi Jie 
Quek, Su Ying 
Zhang, Wenjing 
Rusydi, Andrivo 
Wee, Andrew T. S. 
Issue Date: 7-Sep-2017
Publisher: Nature Publishing Group
Citation: Yin, Xinmao, Wang, Qixing, Cao, Liang, Tang, Chi Sin, Luo, Xin, Zheng, Yujie, Wong, Lai Mun, Wang, Shi Jie, Quek, Su Ying, Zhang, Wenjing, Rusydi, Andrivo, Wee, Andrew T. S. (2017-09-07). Tunable inverted gap in monolayer quasi-metallic MoS2 induced by strong charge-lattice coupling. NATURE COMMUNICATIONS 8. ScholarBank@NUS Repository.
Abstract: Polymorphism of two-dimensional transition metal dichalcogenides such as molybdenum disulfide (MoS2) exhibit fascinating optical and transport properties. Here, we observe a tunable inverted gap (~0.50 eV) and a fundamental gap (~0.10 eV) in quasimetallic monolayer MoS2. Using spectral-weight transfer analysis, we find that the inverted gap is attributed to the strong charge-lattice coupling in two-dimensional transition metal dichalcogenides (2D-TMDs). A comprehensive experimental study, supported by theoretical calculations, is conducted to understand the transition of monolayer MoS2 on gold film from trigonal semiconducting 1H phase to the distorted octahedral quasimetallic 1T' phase. We clarify that electron doping from gold, facilitated by interfacial tensile strain, is the key mechanism leading to its 1H-1T' phase transition, thus resulting in the formation of the inverted gap. Our result shows the importance of charge-lattice coupling to the intrinsic properties of the inverted gap and polymorphism of MoS2, thereby unlocking new possibilities for 2D-TMD-based device fabrication. © 2017 The Author(s).
ISSN: 20411723
DOI: 10.1038/s41467-017-00640-2
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