Strong magneto-optical and anomalous transport manifestations in two-dimensional van der Waals magnets Fe${}_n$GeTe${}_2$ ($n$ = 3, 4, 5)

Abstract

Utilizing the first-principles calculations together with the group theory analysis, we systematically investigate the magnetocrystalline anisotropy energy, magneto-optical effect, and anomalous transport properties (including anomalous Hall, Nernst, and thermal Hall effects) of monolayer and bilayer Fe${}_n$GeTe${}_2$ ($n$ = 3, 4, 5). The monolayer Fe${}_n$GeTe${}_2$ ($n$ = 3, 4, 5) exhibits the out-of-plane, in-plane, and in-plane ferromagnetic orders with considerable magnetocrystalline anisotropy energies of -3.17, 4.42, and 0.58 meV/f.u., respectively. Ferromagnetic order is predicted in bilayer Fe${}_4$GeTe${}_2$ while antiferromagnetic order prefers in bilayer Fe${}_3$GeTe${}_2$ and Fe${}_5$GeTe${}_2$. The group theory analysis reveals that in addition to monolayer ferromagnetic Fe${}_n$GeTe${}_2$ ($n$ = 3, 4, 5), the magneto-optical and anomalous transport phenomena surprisingly exist in bilayer antiferromagnetic Fe${}_5$GeTe${}_2$, which is much rare in realistic collinear antiferromagnets. If spin magnetic moments of monolayer and bilayer Fe${}_n$GeTe${}_2$ are reoriented from the in-plane to out-of-plane direction, the magneto-optical and anomalous transport properties enhance significantly, presenting strong magnetic anisotropy. We also demonstrate that the anomalous Hall effect decreases with the temperature increases. The gigantic anomalous Nernst and thermal Hall effects are found in monolayer and bilayer ferromagnetic Fe${}_n$GeTe${}_2$, and the largest anomalous Nernst and thermal Hall conductivities, respectively, of -3.31 A/Km and 0.22 W/Km at 130 K are observed in bilayer ferromagnetic Fe${}_4$GeTe${}_2$. Especially, bilayer antiferromagnetic Fe${}_5$GeTe${}_2$ exhibits large zero-temperature anomalous Hall conductivity of 2.63 e${}^2$/h as well as anomalous Nernst and thermal Hall conductivities of 2.76 A/Km and 0.10 W/Km at 130 K, respectively.

16 page, 8 figures

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• Spin-order dependent anomalous Hall effect and magneto-optical effect in noncollinear antiferromagnets Mn${}_{3}X$N ($X$ = Ga, Zn, Ag, and Ni)
• Magnetism and Magneto-optical Effects in Bulk and Few-layer CrI${}_3$: A Theoretical GGA + U Study
• Tunable magneto-optical effect, anomalous Hall effect and anomalous Nernst effect in two-dimensional room-temperature ferromagnet $1T$-CrTe${}_2$

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• The first- and second-order magneto-optical effects and intrinsically anomalous transport in 2D van der Waals layered magnets CrXY (X = S, Se, Te; Y = Cl, Br, I)
• Tuning the Room Temperature Ferromagnetism in Fe5GeTe2 by Arsenic Substitution
• Prediction of stable nanoscale skyrmions in monolayer Fe${}_5$GeTe${}_2$
• Thermal cycling induced alteration of the stacking order and spin-flip in the room temperature van der Waals magnet Fe${}_5$GeTe${}_2$
• (Fe${}_{1-x}$Ni${}_x$)${}_5$GeTe${}_2$: an antiferromagnetic triangular Ising lattice with itinerant magnetism
• Disentangling the unusual magnetic anisotropy of the near-room-temperature ferromagnet Fe${}_4$GeTe${}_2$
• Layer Control of Magneto-Optical Effects and Their Quantization in Spin-Valley Splitting Antiferromagnets
• High transport spin polarization in the van der Waals ferromagnet Fe${}_4$GeTe${}_2$
• Enhanced $d$-$p$ hybridization intertwined with anomalous ground state formation in van der Waals-coupled magnetic metal Fe${}_5$GeTe${}_2$
• Giant Magneto-Optical Schäfer-Hubert Effect in Two-Dimensional van der Waals Antiferromagnets \textit{M}PS${}_3$ (\textit{M}=Mn, Fe, Ni)
• Tuning magnetic anisotropy in Fe${}_5$GeTe${}_2$ monolayer through doping and strain
• Ferroelectric Antiferromagnetic Lifting of Spin-Valley Degeneracy
• Flat bands and magnetism in $\mathbf{F}{\mathbf{e}}_4\mathbf{GeT}{\mathbf{e}}_2$ and $\mathbf{F}{\mathbf{e}}_5\mathbf{GeT}{\mathbf{e}}_2$ due to bipartite crystal lattices
• Intrinsic and extrinsic anomalous transport properties in noncollinear antiferromagnetic Mn${}_3$Sn from first-principle calculations
• Photocurrents of charge and spin in single-layer Fe${}_3$GeTe${}_2$
• X-ray magnetic circular dichroism originating from the $T_z$ term in collinear altermagnets under trigonal crystal field
• Anisotropic electron-phonon coupling and chiral phonons in van der Waals room temperature ferromagnet Fe${}_5$GeTe${}_2$
• Electrostatic Control of Magneto-Optic Excitonic Resonances in the van der Waals Ferromagnetic Semiconductor Cr${}_2$Ge${}_2$Te${}_6$