title: Tuning Coupling Behavior of Stacked Heterostructures Based on MoS2, WS2, and WSe2.
abstract: The interlayer interaction of vertically stacked heterojunctions is very sensitive to the interlayer spacing, which will affect the coupling between the monolayers and allow band structure modulation. Here, with the aid of density functional theory (DFT) calculations, an interesting phenomenon is found that MoS2-WS2, MoS2-WSe2, and WS2-WSe2heterostructures turn into direct-gap semiconductors from indirect-gap semiconductors with increasing the interlayer space. Moreover, the electronic structure changing process with interlayer spacing of MoS2-WS2, MoS2-WSe2, and WS2-WSe2is different from each other. With the help of variable-temperature spectral experiment, different electronic transition properties of MoS2-WS2, MoS2-WSe2, and WS2-WSe2have been demonstrated. The transition transformation from indirect to direct can be only observed in the MoS2-WS2heterostructure, as the valence band maximum (VBM) at the Γ point in the MoS2-WSe2and WS2-WSe2heterostructure is less sensitive to the interlayer spacing than those from the MoS2-WS2heterostructure. The present work highlights the significance of the temperature tuning in interlayer coupling and advance the research of MoS2-WS2, MoS2-WSe2, and WS2-WSe2based device applications.
authors.affiliation: Technical Center for Multifunctional Magneto-Optical Spectroscopy (ECNU), Shanghai Department of Electronic Engineering, East China Normal University, Shanghai 200241, China.
authors.forename: Fang
authors.initials: F
authors.lastname: Wang
authors.affiliation: Technical Center for Multifunctional Magneto-Optical Spectroscopy (ECNU), Shanghai Department of Electronic Engineering, East China Normal University, Shanghai 200241, China.
authors.forename: Junyong
authors.initials: J
authors.lastname: Wang
authors.affiliation: Technical Center for Multifunctional Magneto-Optical Spectroscopy (ECNU), Shanghai Department of Electronic Engineering, East China Normal University, Shanghai 200241, China.
authors.forename: Shuang
authors.initials: S
authors.lastname: Guo
authors.affiliation: Technical Center for Multifunctional Magneto-Optical Spectroscopy (ECNU), Shanghai Department of Electronic Engineering, East China Normal University, Shanghai 200241, China.
authors.forename: Jinzhong
authors.initials: J
authors.lastname: Zhang
authors.affiliation: Technical Center for Multifunctional Magneto-Optical Spectroscopy (ECNU), Shanghai Department of Electronic Engineering, East China Normal University, Shanghai 200241, China.
authors.forename: Zhigao
authors.initials: Z
authors.lastname: Hu
authors.affiliation: Technical Center for Multifunctional Magneto-Optical Spectroscopy (ECNU), Shanghai Department of Electronic Engineering, East China Normal University, Shanghai 200241, China.
authors.forename: Junhao
authors.initials: J
authors.lastname: Chu