Pressure induced metallization with absence of structural transition in layered molybdenum diselenide

Zhao Zhao (), Haijun Zhang, Hongtao Yuan, Shibing Wang, Yu Lin, Qiaoshi Zeng, Gang Xu, Zhenxian Liu, G. K. Solanki, K. D. Patel, Yi Cui, Harold Y. Hwang and Wendy L. Mao
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Zhao Zhao: Stanford University
Haijun Zhang: Stanford University
Hongtao Yuan: Geballe Laboratory for Advanced Materials, Stanford University
Shibing Wang: Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory
Yu Lin: Stanford University
Qiaoshi Zeng: HPSynC, Geophysical Laboratory, Carnegie Institution of Washington
Gang Xu: Geballe Laboratory for Advanced Materials, Stanford University
Zhenxian Liu: Geophysical Laboratory, Carnegie Institution of Washington
G. K. Solanki: Sardar Patel University, Vallabh Vidyanagar
K. D. Patel: Sardar Patel University, Vallabh Vidyanagar
Yi Cui: Geballe Laboratory for Advanced Materials, Stanford University
Harold Y. Hwang: Geballe Laboratory for Advanced Materials, Stanford University
Wendy L. Mao: Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory

Nature Communications, 2015, vol. 6, issue 1, 1-8

Abstract: Abstract Layered transition-metal dichalcogenides have emerged as exciting material systems with atomically thin geometries and unique electronic properties. Pressure is a powerful tool for continuously tuning their crystal and electronic structures away from the pristine states. Here, we systematically investigated the pressurized behavior of MoSe2 up to ∼60 GPa using multiple experimental techniques and ab-initio calculations. MoSe2 evolves from an anisotropic two-dimensional layered network to a three-dimensional structure without a structural transition, which is a complete contrast to MoS2. The role of the chalcogenide anions in stabilizing different layered patterns is underscored by our layer sliding calculations. MoSe2 possesses highly tunable transport properties under pressure, determined by the gradual narrowing of its band-gap followed by metallization. The continuous tuning of its electronic structure and band-gap in the range of visible light to infrared suggest possible energy-variable optoelectronics applications in pressurized transition-metal dichalcogenides.

Date: 2015
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DOI: 10.1038/ncomms8312

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