Investigation of structural and electronics properties of boron co-doped silicon carbide nanoribbons

Abstract

In this analysis, we investigated the structural and electronic properties of boron-doped armchair silicon carbide nanoribbons (B-doped ASiCNRs). By making use ofdensity functional theory (DFT) approachthe binding energy (BE), density of state (DOS), energy band structure, and bond length are computed. Calculation shows that B-doped ASiCNRs have strong structural stability as compared to ASiCNR. Before doping, the energy band-gap of armchair silicon carbide nanoribbons is relatively higher than that of the boron-doped armchair silicon carbide nanoribbons. It is found that when boron (B) atoms are doped in the center, the Fermi level shifts towards the valence band. This indicates that the doping of B atoms results in emerging of new energy bands which transform semiconductor to the P-type nature of B-doped ASiCNRs. Our findings give a theoretical framework for adjusting the electronic characteristics of B-doped ASiCNRs. It can be used in future nanoelectronic devices, etc.