Manifold electronic structure transition of hybrid silicane–silicene nanoribbons

The intriguing electronic and magnetic properties of silicane and hybrid silicane–silicene nanoribbons are investigated by means of first-principles calculations. Both armchair and zigzag silicane nanoribbons are nonmagnetic semiconductors. Meanwhile, the band gap of armchair hybrid silicane–silicene nanoribbons without spin-split, which is mainly determined by the silicene part, can be separated into three different families. The energy gap of the zigzag counterparts depends on the hydrogenation of the zigzag silicon chain at the silicane–silicene interface. Thus, controlling the hydrogenation ratio along the ribbon width can provide a basis for modulating the electronic and magnetic properties of the zigzag hybrid nanoribbons.