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-WSe₂ heterostructures 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-WSe₂ is different from each other. With the help of variable-temperature spectral experiment,

SUBMITTER: Wang F 

PROVIDER: S-EPMC5356184 | biostudies-literature | 2017 Mar

REPOSITORIES: biostudies-literature