Multiconfiguration b-AsP-based doping systems with enriched elements (C and O): novel materials for spintronic devices

Abstract

Abstract Black arsenical phosphorus (b-AsP), a derivative of black phosphorus, is a bimetallic alloy compound with the advantage of high carrier mobility, high stability, and tailorable configuration. However, lack of an effective tool to facilitate the application of AsP as a magnetic device. Herein, band gap modulation and the introduction of magnetism can be achieved by doping non-metallic atoms in three different AsP configurations. And the doping of the same atom will cause variation in the electronic structure depending on the configuration. Surprisingly, doping with both enriched elements C and O transforms AsP into a magnetic material. Furthermore, the source of the magnetic moment is explained by solving the wave function of the doped AsP, which is caused by the orbital coupling of the C and O atoms to AsP. To excavate the potentials of this magnetic AsP system for magnetic devices, field-effect transistors based on two doped armchair AsP3 nanoribbons are simulated. The devices show considerable negative differential conductivity effect and good spin filtering efficiency. These findings suggest that AsP doping with enriched elements C and O could be an excellent candidate for future spintronics applications.