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By using first-principles simulations, we investigate the interaction of a 2D silicon layer with two classes of chalcogenide-layered compounds, namely MoX 2 and GaX (X= S, Se, Te). A rather weak (van der Waals) interaction between the silicene layers and the chalcogenide layers is predicted. We found that the buckling of the silicene layer is correlated to the lattice mismatch between the silicene layer and the MoX 2 or GaX template. The electronic properties of silicene on these different templates largely depend on the buckling of the silicene layer: highly buckled silicene on MoS 2 is predicted to be metallic, while low buckled silicene on GaS and GaSe is predicted to be semi-metallic, with preserved Dirac cones at the K points. These results indicate new routes for artificially engineering silicene nanosheets, providing tailored electronic properties of this 2D layer on non-metallic substrates. These non-metallic …
IOP Publishing
Publication date: 
29 May 2014

Emilio Scalise, Michel Houssa, Emilio Cinquanta, Caludio Grazianetti, Bas van den Broek, Geoffrey Pourtois, Andre Stesmans, Marco Fanciulli, Allessandro Molle

Biblio References: 
Volume: 1 Issue: 1 Pages: 011010
2D Materials