Rectifying and negative differential resistance in nonmetal-adsorbed black arsenic phosphorus

Recently, black arsenic phosphorus (b-AsP) has become a hot topic of two-dimensional materials research due to its high carrier mobility, tunability of the band gap in a wide range and excellent in-plane anisotropy. In this work, we use first-principle calculations to study the structural and electromagnetic properties of b-AsP with adsorbed nonmetal atoms such as B, C, N, O and F. Taking into account the great difference in the electromagnetic properties induced by adsorption of different kinds of nonmetal atoms on b-AsP, several rectifying device models are formulated. Analysis and calculations demonstrate that the device, consisting of an N atom adsorbed on b-AsP, has a rectification ratio of 10 5 and a negative differential resistance. According to our results, N-doped b-AsP can be used as a two-dimensional molecular rectifier and spin filter.