Modulating band gap of C4NP-h2D crystal nanoribbons and nanotubes under elastic strain

Abstract

Using Density Functional Theory (DFT), band-gap modulation of C₄NP-h2D nanoribbons and nanotubes under elastic strain is investigated in detail in this paper. The results indicate that the band gap of C₄NP-h2D nanoribbons and nanotubes can be tuned in two ways, namely, stretching or compressing the nanoribbons and nanotubes whereby ε is changed from −10–10% in zigzag and armchair shapes, respectively. It was also revealed that the band gap of C₄NP-h2D nanoribbons and nanotubes changes with increasing widths. Therefore, the C₄NP-h2D nanoribbons and nanotubes are predicted to have great potential applications in strain sensor and optical electronics at the nanoscale.