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

被引:3
作者
Agapov, E. M. [1 ]
Kruglov, I. A. [1 ,2 ,3 ]
Katanin, A. A. [1 ,4 ,5 ]
机构
[1] Moscow Inst Phys & Technol, Ctr Photon & 2D Mat, Dolgoprudnyi 141701, Russia
[2] Dukhov Res Inst Automat VNIIA, Moscow 127005, Russia
[3] XPANCEO, Emerging Technol Res Ctr, Dubai Investment Pk First, Dubai 00000, U Arab Emirates
[4] Skolkovo Inst Sci & Technol, Moscow 121205, Russia
[5] Russian Acad Sci, MN Mikheev Inst Met Phys, Ekaterinburg 620108, Russia
关键词
MXene; Fe2C; 2D; XY; 2D ferromagnetism; Berezinskii-Kosterlitz-Thouless behavior; STRONGLY-CORRELATED SYSTEMS; TRANSITION; SCATTERING; ANISOTROPY; FERMIONS;
D O I
10.1088/2053-1583/ad10bc
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
Monolayer Fe2C is expected to possess strong electronic correlations, which can significantly contribute to electronic and magnetic properties. In this study we consider electronic and magnetic properties of MXene Fe2C within the DFT+DMFT approach. We establish the existence of local magnetic moments mu(loc )= 3.3 mu(E) in this compound, characterized by sufficiently long lifetime of tau similar to 350 fs. We also calculate exchange interaction parameters accounting for electronic correlations using the recently developed approach for paramagnetic phase. At low temperatures, we obtain the strongest exchange interaction 11 meV between next nearest neighboring Fe atoms, located above (or below) the carbon plane, and the subleading interaction 6 meV between the next to next nearest neighboring atoms, located 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 similar or equal to 300 K, which makes this compound a good candidate for the two-dimensional ferromagnet with XY anisotropy.
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页数:10
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