Issue 42, 2022

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.

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

Supplementary files

Article information

Article type
Paper
Submitted
29 Jun 2022
Accepted
11 Oct 2022
First published
24 Oct 2022

Phys. Chem. Chem. Phys., 2022,24, 26156-26163

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

P. Gong, X. Zhang, F. Liu and S. Zhu, Phys. Chem. Chem. Phys., 2022, 24, 26156 DOI: 10.1039/D2CP02956A

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