Electronic and Optical Properties of Arsenene Under Uniaxial Strain

The electronic and optical properties of strained monolayer arsenene were calculated based on first-principle density functional theory. Our theoretical calculations demonstrated that monolayer arsenene was transformed from indirect to direct band gap semiconductor by inducing uniaxial tensile strain along armchair and zigzag directions. Compared to the biaxial tensile strain of 0.04, this transformation occurred at the strain of 0.06 and 0.10 along armchair and zigzag direction, respectively. Spin–orbital coupling is available to tune the bandgaps. The spin–orbit interaction opens a 0.2 eV bandgap in the Γ-point on the unstrained monolayer arsenene. The absorption properties were calculated and a clear red shift was observed with the increasing strain.