MXene Fe2C as a promising candidate for the 2D XY ferromagnet
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| Format: | Preprint |
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2023
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| _version_ | 1866910330504871936 |
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| author | Agapov, E. M. Kruglov, I. A. Katanin, A. A. |
| author_facet | Agapov, E. M. Kruglov, I. A. Katanin, A. A. |
| contents | 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 $μ=3.2μ_B$ in this compound, characterized by sufficiently long lifetime of $τ\sim 350$ 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 $T_{\rm BKT}\simeq 290$ K, which makes this compound a good candidate for the two-dimensional ferromagnet with XY anisotropy. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2312_03551 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | MXene Fe2C as a promising candidate for the 2D XY ferromagnet Agapov, E. M. Kruglov, I. A. Katanin, A. A. Strongly Correlated Electrons Mesoscale and Nanoscale Physics 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 $μ=3.2μ_B$ in this compound, characterized by sufficiently long lifetime of $τ\sim 350$ 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 $T_{\rm BKT}\simeq 290$ K, which makes this compound a good candidate for the two-dimensional ferromagnet with XY anisotropy. |
| title | MXene Fe2C as a promising candidate for the 2D XY ferromagnet |
| topic | Strongly Correlated Electrons Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2312.03551 |