Half-metallic of non-metal-adsorbed AsP and multifunctional two-dimensional spintronic device of impure AsP from first-principles calculations

Abstract Black arsenic phosphorus (b-AsP) monolayer is a new two-dimensional (2D) nano material with medium band gap and ultra-high carrier mobility , which will have broad application prospects in 2D electronic devices. Here the electron and magnetic of non-metallic light atoms adsorbed AsP are studied by density functional theory (DFT). The hollow sites of B and N adsorbed AsP are half-metallic make them a promising spin material. According to the calculation of the hollow site devices of AsP adsorbed by B and N exhibit almost perfect spin filtering effect. In addition, the I–V curve of the device for B-adsorbed AsP shows a significant negative differential resistance effect. The magnetoresistance of N-adsorbed AsP device is as high as 10 3 %. These results indicate that B-adsorbed and N-adsorbed AsP systems have potential applications in spintronics .