Band-gap modulation of graphane-like SiC nanoribbons under uniaxial elastic strain

Abstract

The band-gap modulation of zigzag and armchair graphane-like SiC nanoribbons (GSiCNs) under uniaxial elastic strain is investigated using the density functional theory. The results show that band gap of both structures all decreases when being compressed or tensed. In compression, both zigzag and armchair GSiCNs are semiconductors with a direct band gap. However, in tension, the armchair GSiCNs undergo a direct-to-indirect band-gap transition but the zigzag GSiCNs still have a direct band gap. These results are also proved by HSE06 method. This implies a potential application of the graphane-like SiC nanoribbons in the future pressure sensor and optical electronics nanodevices. • The band gap of both structures all decreases when being compressed or tensed. • In compression, both GSiCNs are semiconductors with direct band gap. • In tension, the armchair GSiCNs undergo a direct-to-indirect band-gap transition. • In tension, the zigzag GSiCNs are still direct band gap. • The band gap of GSiCN is more sensitive to compression than tension.