Optical properties of arsenene nanoribbons: A first principle study

Abstract

Using the first-principles calculation, we investigate electronic and optical properties of the zigzag and armchair edges shaped arsenene nanoribbons. The results show that the zigzag and armchair edge arsenene nanoribbons with different widths always exhibit semiconductor properties independently of the widths, and the band gap decreases with the increase of bandwidth due to the quantum size effect. With the increase of the band width, the imaginary parts of the dielectric function exhibit a red shift trend, which is caused by the electron transfer between the valence and conduction bands. Our calculations provide electronic and optical evidence, besides using them for optoelectronic devices, AsNRs could be a potential candidate for photoelectron chemical application.