Structural and electrical properties of ultrathin SiXC (X = 4, 5, 6) nanowires: A first principles calculation

We have scrutinized structural and electronic properties of SiXC (X=4,5,6) nanowires having a variant shape of cross-section. Properties of studied nanowires were drastically changed in compare to bulk Si and C structure. The density of charge (DOS) revealed delocalized metallic bonding for studied NWs. Number of conduction channel is slightly increased with the nanowire become bigger. All the considered nanowires are behaved as a poor metallic or semi metallic rather than semiconductor and insulator in bulk Si and C respectively.