title: Pressure induced metallization with absence of structural transition in layered molybdenum diselenide.
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.
authors.affiliation: Department of Physics, Stanford University, Stanford, CA 94305, USA.
authors.forename: Zhao
authors.initials: Z
authors.lastname: Zhao
authors.affiliation: 1] Department of Physics, Stanford University, Stanford, CA 94305, USA [2] National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093 China.
authors.forename: Haijun
authors.initials: H
authors.lastname: Zhang
authors.affiliation: 1] Geballe Laboratory for Advanced Materials, Stanford University, Stanford, CA 94305, USA [2] Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA.
authors.forename: Hongtao
authors.initials: H
authors.lastname: Yuan
authors.affiliation: 1] Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA [2] Department of Geological Sciences, Stanford University, Stanford, CA 94305, USA.
authors.forename: Shibing
authors.initials: S
authors.lastname: Wang
authors.affiliation: Department of Geological Sciences, Stanford University, Stanford, CA 94305, USA.
authors.forename: Yu
authors.initials: Y
authors.lastname: Lin
authors.affiliation: 1] HPSynC, Geophysical Laboratory, Carnegie Institution of Washington, Argonne, IL 60439, USA [2] Center for High Pressure Science and Technology Advanced Research, Shanghai 201203, China.
authors.forename: Qiaoshi
authors.initials: Q
authors.lastname: Zeng
authors.affiliation: Geballe Laboratory for Advanced Materials, Stanford University, Stanford, CA 94305, USA.
authors.forename: Gang
authors.initials: G
authors.lastname: Xu
authors.affiliation: Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC 20015, USA.
authors.forename: Zhenxian
authors.initials: Z
authors.lastname: Liu
authors.affiliation: Department of Physics, Sardar Patel University, Vallabh Vidyanagar, Gujarat 388120, India.
authors.forename: G K
authors.initials: GK
authors.lastname: Solanki
authors.affiliation: Department of Physics, Sardar Patel University, Vallabh Vidyanagar, Gujarat 388120, India.
authors.forename: K D
authors.initials: KD
authors.lastname: Patel
authors.affiliation: 1] Geballe Laboratory for Advanced Materials, Stanford University, Stanford, CA 94305, USA [2] Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA.
authors.forename: Yi
authors.initials: Y
authors.lastname: Cui
authors.affiliation: 1] Geballe Laboratory for Advanced Materials, Stanford University, Stanford, CA 94305, USA [2] Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA.
authors.forename: Harold Y
authors.initials: HY
authors.lastname: Hwang
authors.affiliation: 1] Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA [2] Department of Geological Sciences, Stanford University, Stanford, CA 94305, USA.
authors.forename: Wendy L
authors.initials: WL
authors.lastname: Mao