A first-principles study of the ultra-high spin rectification effect based on nitride MXenes (Sc2NO2, Ti2NO2)

Abstract

Nitride MXenes exhibit inherent strong chemical stability and ferromagnetic properties, which are significant for their application in nanoscale spintronic devices. To demonstrate the potential of nitride MXenes in spintronics, we have designed a Sc₂NO₂/Ti₂NO₂ heterojunction and investigated its spin transport properties using first principles calculations combined with the non-equilibrium Green's function. The results show that the Sc₂NO₂/Ti₂NO₂ heterojunction has a stable negative differential resistance effect and a great spin rectification effect with a rectification ratio of 1.73 × 10¹¹. The corresponding energy band structures and the transport behavior establish the mechanism for such properties. In addition, the perfect two-dimensional morphology provides a suitable nanostructured material for developing spintronic devices.