The Strain Effect on Electronic Structure of Phosphorene

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

کلیدواژه ها:

Direct- Indirect Band Gap ، Phosphorene ، Uniaxial Strain