Nano Research

, Volume 5, Issue 1, pp 43–48

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

  • Emilio Scalise
  • Michel Houssa
  • Geoffrey Pourtois
  • Valery Afanas’ev
  • André Stesmans
Research Article

DOI: 10.1007/s12274-011-0183-0

Cite this article as:
Scalise, E., Houssa, M., Pourtois, G. et al. Nano Res. (2012) 5: 43. doi:10.1007/s12274-011-0183-0
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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

MoS2quasi-2D chalcogenide materialsfirst-principles modelingstrain-induced semiconductor to metal transition

Copyright information

© Tsinghua University Press and Springer-Verlag Berlin Heidelberg 2012

Authors and Affiliations

  • Emilio Scalise
    • 1
  • Michel Houssa
    • 1
  • Geoffrey Pourtois
    • 2
    • 3
  • Valery Afanas’ev
    • 1
  • André Stesmans
    • 1
  1. 1.Semiconductor Physics Laboratory, Department of Physics and AstronomyUniversity of LeuvenLeuvenBelgium
  2. 2.Department of ChemistryUniversity of AntwerpWilrijk-AntwerpBelgium
  3. 3.Interuniversity Microelectronics CentreLeuvenBelgium