MXene Fe2C as a promising candidate for the 2D XY ferromagnet
Abstract
Monolayer Fe2C 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 Fe2C within the DFT+DMFT approach. We establish the existence of local magnetic moments μ=3.2μB in this compound, characterized by sufficiently long lifetime of τ 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 Fe2C is T BKT 290 K, which makes this compound a good candidate for the two-dimensional ferromagnet with XY anisotropy.
Turn this paper into a full lesson
ArcXiv compiles a staged curriculum from this paper: 8-12 lessons across beginner → advanced, synthesised section guides, visuals, flashcards, a quiz, exercises, and on-demand deep dives per section. Grounded in the abstract, never invented.