MXene Fe2C as a promising candidate for the 2D XY ferromagnet

Abstract

Monolayer Fe${}_2$C is expected to possess strong electronic correlations, which can significantly contribute to electronic and magnetic properties. In this work we consider electronic and magnetic properties of MXene Fe${}_2$C within the DFT+DMFT approach. We establish the existence of local magnetic moments $\mu =3.2{\mu }_B$ in this compound, characterized by sufficiently long lifetime of $\tau \sim 350$ fs. We also calculate exchange interaction parameters accounting for electronic correlations using the recently developed approach for paramagnetic phase. We obtain the strongest exchange interaction $11$ meV between next nearest neighboring Fe atoms above (and below) the carbon plane, and the subleading interaction $6$ meV between the next to next nearest neighboring atoms across the carbon plane. The resulting dependence of the Berzinskii-Kosterlitz-Thouless (BKT) and Curie temperatures on magnetic anisotropy is obtained. The BKT temperature for the pristine Fe${}_2$C is $T_{\mathrm{BKT}}\simeq 290$ K, which makes this compound a good candidate for the two-dimensional ferromagnet with XY anisotropy.

This is the version of the article before peer review or editing, as submitted by authors to 2D Materials. IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or any version derived from it. The Version of Record is available online at the specified DOI 10.1088/2053-1583/ad10bc

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