Structural stability and electronic properties of SiC nanocones: First-principles calculations and symmetry considerations

Abstract

The structural and electronic properties of SiC nanocones (SiCNCs), as a function of the disclination angle and electric field intensity and orientation, are investigated by means of ab initio calculations. Phonon analysis revealed that SiCNCs with only three disclination angles are allowed and, among these, the band gap of only one SiCNC is affected by a transverse electric field. An interpretation of these findings, from a group theoretical point of view, is also given.