Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2
MoS2, quasi-2D chalcogenide materials, first-principles modeling, strain-induced semiconductor to metal transition
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.
Tsinghua University Press
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