Research Article

Nano Research

, Volume 5, Issue 1, pp 43-48

First online:

Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2

  • Emilio ScaliseAffiliated withSemiconductor Physics Laboratory, Department of Physics and Astronomy, University of Leuven Email author 
  • , Michel HoussaAffiliated withSemiconductor Physics Laboratory, Department of Physics and Astronomy, University of Leuven
  • , Geoffrey PourtoisAffiliated withDepartment of Chemistry, University of AntwerpInteruniversity Microelectronics Centre
  • , Valery Afanas’evAffiliated withSemiconductor Physics Laboratory, Department of Physics and Astronomy, University of Leuven
  • , André StesmansAffiliated withSemiconductor Physics Laboratory, Department of Physics and Astronomy, University of Leuven

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Abstract

The electronic properties of two-dimensional honeycomb structures of molybdenum disulfide (MoS2) subjected to biaxial strain have been investigated using first-principles calculations based on density functional theory. On applying compressive or tensile bi-axial strain on bi-layer and mono-layer MoS2, the electronic properties are predicted to change from semiconducting to metallic. These changes present very interesting possibilities for engineering the electronic properties of two-dimensional structures of MoS2. https://static-content.springer.com/image/art%3A10.1007%2Fs12274-011-0183-0/MediaObjects/12274_2011_183_Fig1_HTML.gif

Keywords

MoS2 quasi-2D chalcogenide materials first-principles modeling strain-induced semiconductor to metal transition