Electronic and optical properties of phosphorene-like arsenic phosphorus: a many-body study

By employing density functional and many-body perturbation theories, we explore the geometrics, quasiparticle band structure, and optical response of two-dimensional arsenic phosphorus (α-AsxP1−x). Calculations indicate that the α-AsxP1−x exhibits excellent stability at high temperature. The quasi-particle bandgap of α-AsxP1−x is highly tunable in a broad range of 1.54–2.14 eV depending on the composition. The optical absorption of α-AsxP1−x can cover the visible and ultraviolet regions, and is highly anisotropic. More interestingly, it is tunable to optical absorption of α-AsxP1−x when the composition continuously increased. Also, they have sizable exciton binding energies. These findings suggest that α-AsxP1−x holds great potentials for applications in high-performance electronics and optoelectronics.