Band gap engineering of MoS2 upon compression

  title={Band gap engineering of MoS2 upon compression},
  author={Miquel L'opez-Su'arez and Igor Neri and Riccardo Rurali},
  journal={Journal of Applied Physics},
Molybdenum disulfide (MoS2) is a promising candidate for 2D nanoelectronic devices, which shows a direct band-gap for monolayer structure. In this work we study the electronic structure of MoS2 upon both compressive and tensile strains with first-principles density-functional calculations for different number of layers. The results show that the band-gap can be engineered for experimentally attainable strains (i.e., ±0.15). However, compressive strain can result in bucking that can prevent the… 

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