Edge-edge interactions of bilayer zigzag SiC nanoribbons

Abstract

Considering the edge-edge and van der Waals (vdW) interactions, we studied the structural stability and electronic properties of zigzag AA-stacked bilayer SiC nanoribbon (ZSiCNR). The hetero-AA stacked SiCNR is much more stable than the homo-stacked one, which is mainly attributed to the formation of sp³ bonds at both Si-C edges. The electronic properties are strongly dependent on the stacking patterns: the homo-AA stacked ZSiCNR is a metal, whereas the hetro-AA sacked one becomes semiconducting.