BAND GAP OF THREE LAYERED PHOSPHORENE UNDER INPLANE STRAIN

We have investigated tuning band gap of three layers of phosphorene with applying uniaxial and biaxial strains using first principle calculations based on density functional theory. The results show a three layers of phosphorene is a narrow direct semiconductor with 0.23 eV energy gap and in-plane strains significantly change the bandstructure. Direct-indirect semiconductor and semiconductor-metal transitions induce with uniaxial strains, symmetric and antisymmetric biaxial strains. Dispersion relation at low energy has a linear spectrum shape, Dirac-shaped dispersion, in metal zone for uniaxial strain along armchair and zigzag directions and for symmetric strain. Consequently, applying a reasonable strain one can be able controls the gap size and electronic properties of three layers of phosphorene

Keywords:

Density functional theory , phosphorene , Density of states , Semiconductor , Strain