Strain enhances the electrical and photocatalytic properties of tetragonal boron nitride

Abstract

A promising 2D material for photovoltaic (PV) applications is boron nitride. Tetragonal Boron Nitride (t-BN) is the name of the revolutionary of 2D-material based on Boron Nitride. In this study, we investigated the electronic, optical, and electrical properties of tetragonal Boron Nitride (t-BN) under various strains. The modified Becke-Johnson Tran-Blaha exchange potential approximation (TB-mBJ) and the screened hybrid functional HSE06, which is included in the WIEN2K code, employed in this research. Tension-compression also, employed to control the band gap and electrical conductivity. We demonstrated that the band gap of t-BN and its electrical conductivity at − 8% significantly increase under compressive stress. According to the calculations, t-BN has better electronic properties and it has a higher electrical conductivity. As attraction decreases, the band gap of t-BN. Furthermore, we determined that the property semiconductor in t-BN has been transforming too metallic. The innovative nanomaterial t-BN can enhance the efficiency of solar cells since it has good electrical properties.