First-principles study on electronic structure and optical properties of two-dimensional antimonene doped with phosphorus

In recent years, two-dimensional antimonene has become an attractive two-dimensional wide band gap semiconductor material in the field of optoelectronic and nano-devices. In this paper, the electronic structure and optical properties of single-layer antimony (Sb)and doped with phosphorus (P) are studied by first principle. The results show that the forbidden band of antimony alkene is indirect forbidden band, and the forbidden band width is 1.27 eV. After doping P, the band gap of antimony-ene becomes a direct band gap, which is 1.37 eV. This shows that the light utilization rate of the doped antimony alkene is improved compared with that of undoped antimony alkene. At the same time, we have also studied their optical properties, and found that the dielectric properties of doped materials have been improved. It can be seen from the absorption spectrum that the doping curve has a red shift.