Theoretical prediction of the half-metallicity in one-dimensional Cr2NO2 nanoribbons

TL;DR

This paper uses density functional theory to predict that wide one-dimensional Cr2NO2 nanoribbons are robust half-metals with large band gaps, making them promising for spintronic applications.

Contribution

It provides a theoretical prediction of half-metallicity in Cr2NO2 nanoribbons, highlighting their stability and potential for spintronics.

Findings

Nanoribbons are ferromagnetic and half-metallic regardless of chirality.

Half-metallic band gaps exceed 1 eV, preventing thermal spin flips.

Half-metallicity persists under bias up to 1 V.

Abstract

One-dimensional Cr2NO2 nanoribbons cutting from the oxygen-passivated Cr2NO2 MXene are investigated by using density functional theory. The wide nanoribbons have ferromagnetic ground states and are half-metals, independent of their chirality. The half-metallic band gaps of the wide nanoribbons are larger than 1 eV, which are large enough for avoiding thermally activated spin flip. The magnetism does not rely on the edge states but originates from all the Cr atoms. Furthermore, the half-metallicity is still robust in an electronic device even if the bias is up to 1 V. Therefore, one-dimensional Cr2NO2 nanoribbons are good candidates for spintronics.