Strong magneto-optical and anomalous transport manifestations in two-dimensional van der Waals magnets FenGeTe2 (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 FenGeTe2 (n = 3, 4, 5). The monolayer FenGeTe2 (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 Fe4GeTe2 while antiferromagnetic order prefers in bilayer Fe3GeTe2 and Fe5GeTe2. The group theory analysis reveals that in addition to monolayer ferromagnetic FenGeTe2 (n = 3, 4, 5), the magneto-optical and anomalous transport phenomena surprisingly exist in bilayer antiferromagnetic Fe5GeTe2, which is much rare in realistic collinear antiferromagnets. If spin magnetic moments of monolayer and bilayer FenGeTe2 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 FenGeTe2, 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 Fe4GeTe2. Especially, bilayer antiferromagnetic Fe5GeTe2 exhibits large zero-temperature anomalous Hall conductivity of 2.63 e2/h as well as anomalous Nernst and thermal Hall conductivities of 2.76 A/Km and 0.10 W/Km at 130 K, respectively.
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