Article Title

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

Authors

Emilio Scalise, Semiconductor Physics Laboratory, Department of Physics and Astronomy, University of Leuven, Leuven B-3001, Belgium
Michel Houssa, Semiconductor Physics Laboratory, Department of Physics and Astronomy, University of Leuven, Leuven B-3001, Belgium
Geoffrey Pourtois, Department of Chemistry, University of Antwerp, Wilrijk-Antwerp B-2610, Belgium
Valery Afanas’ev, Semiconductor Physics Laboratory, Department of Physics and Astronomy, University of Leuven, Leuven B-3001, Belgium
André Stesmans, Semiconductor Physics Laboratory, Department of Physics and Astronomy, University of Leuven, Leuven B-3001, Belgium

Keywords

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

Abstract

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.

Graphical Abstract

DOI

https://doi.org/10.1007/s12274-011-0183-0

Publisher

Tsinghua University Press

Recommended Citation

Emilio Scalise,Michel Houssa,Geoffrey Pourtois,Valery Afanas’ev,André Stesmans, Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2. NanoRes.2012, 5(1): 43–48