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Research Article

Strain-Induced Semiconductor to Metal Transition in the Two-Dimensional Honeycomb Structure of MoS2

Emilio Scalise1( ), Michel Houssa1, Geoffrey Pourtois2,†, Valery Afanas'ev1, and André Stesmans1
Semiconductor Physics LaboratoryDepartment of Physics and AstronomyUniversity of LeuvenLeuvenB-3001Belgium
Department of ChemistryUniversity of AntwerpWilrijk-AntwerpB-2610Belgium

† Present address: Interuniversity Microelectronics Centre, Leuven B-3001, Belgium

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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.

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Keywords

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

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Nano Research
Volume 5 Issue 1,
January 2012
Pages 43-48
DOI: 10.1007/s12274-011-0183-0

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Cite this article:
Scalise E, Houssa M, Pourtois G, et al. Strain-Induced Semiconductor to Metal Transition in the Two-Dimensional Honeycomb Structure of MoS2. Nano Research, 2012, 5(1): 43-48. https://doi.org/10.1007/s12274-011-0183-0

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Received: 13 September 2011
Revised: 25 October 2011
Accepted: 25 October 2011
Published: 11 November 2011
© Tsinghua University Press and Springer-Verlag Berlin Heidelberg 2011