The Strain Effect on Electronic Structure of Phosphorene

The effect of uniaxial and biaxial strain on the structural and electronic properties of phosphorene has been extensively studied in this work. This study was performed using the plane-wave pseudopotential approach within the framework of the first-principles density functional theory (DFT) implemented using the Quantum Espresso code. Band structure of phosphorene is considerably affected under the applied strains and a direct-indirect band gap transition is also noticed.