Tuning of the electronic and optical properties of single-layer boron nitride by strain and stress

Electronic and optical properties of boron nitride monolayer have been studied by full potential augmented plane waves plus local orbital (FP-APW + lo) in the framework of the density functional theory. For achieving new applications, biaxial stress and strain effects on electronic and optical properties have been investigated. The results show that by exerting stress and strain on BN nanosheet, we can control energy band gap of this nanostructure. Optical calculations present that applying stress and strain does not have remarkable influence on the reflectivity spectrum while it changes energy gap direction. All obtained results express that BN monolayer is a good candidate for optoelectronic applications.

Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slide