[12a-N307-1~11] 17.3 Layered materials

▲ [12a-N307-3] Interactions between the edge states of bilayer zigzag SiC nanoribbons

〇Rongyao Sun¹, Jun Nakamura¹ (1.UEC (Tokyo))

Keywords:SiC nanoribbons, edge state

In this research, we investigate the edge-edge interactions of bilayer zigzag SiCNRs using the first-principles calculations based on the density functional theory with the vdW parameters. For the SiCNRs with the ribbon width of 7, the AB_a stacking is more stable than AA one and AB_b one because the AB_a stacking can receive the energy gain through the edge-edge interaction. The structural stability for bilayer SiCNRs is dominated by the trade-off between the edge-edge interaction and the vdW interaction, which is similar with bilayer ZGNRs. However, the edge states of bilayer SiCNRs are quite different with ZGNRs.