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

2016/12/27 by Wang, Guo, Liao, Yi
#FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)

paper · doi:10.48550/arxiv.1612.08536

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.

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