The electromagnetic performance of transition metal-substituted monolayer black arsenic-phosphorus

Recently, a new two-dimensional nonmagnetic semiconductor material, black arsenic-phosphorus (bAsP), has gained great research attention for experimental and theoretical works owing to its excellent physical properties. The present work attempted to investigate the electromagnetic properties of three 1 : 1 bAsP structures (bAsP-1, bAsP-2, and bAsP-3) substituted with transition metals (TM) by using first principles. Among these substituted bAsP systems, V substitutes P of bAsP-1, Ni substitutes As of bAsP-1, Mn substitutes P of bAsP-2, Fe substitutes As of bAsP-2 and Mn substitutes P of bAsP-3 and these are found to be half-metals. Among them, the system where Ni substitutes As of the bAsP-1 shows the largest binding energy and is the most stable structure. The system where one Ni atom substitutes As of bAsP-1 (As_Ni) and the system where two Ni atoms substitute As of bAsP-1 (2As_2Ni) are selected to develop magnetic tunnel junctions where it is found that the increase in the concentration of Ni in the electrodes increases the spin polarized current. More interestingly, a perfect spin filtering effect with 100% spin polarization and tunnel magnetoresistance of above 10⁴% can be obtained in the one Ni substituted-system (As_Ni) and two Ni-substituted system (2As_2Ni). The negative differential resistance ratio is as high as 3.2 × 10⁷% when the voltage is 0.5 V in the parallel spin configuration of As_Ni. The present research displays that the TM-substituted bAsP structure can be used in the fabrication of spintronic devices.