Two-dimensional black arsenic phosphorus has attracted significant interest due to its extraordinary electronic, optical, and transport properties. Therefore, in this work, we go through all the possibilities, including 3297 nonrepetitive configurations, and demonstrate the lowest energy structure of the As x P 1– x ( x = 0.4) monolayer by first-principles calculations. Our results indicate that both single-layer and bilayer As 4 P 6 host direct and indirect bandgap semiconductors with bandgaps of 1.94 and 1.26 eV, respectively, which exhibit ...
