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)

Abstract

Recently, the two-dimensional magnetic semiconductor CrSBr has attracted considerable attention due to its excellent air-stable property and high magnetic critical temperature. Here, we systematically investigate the electronic structure, magnetocrystalline anisotropy energy, first-order magneto-optical effects (Kerr and Faraday effects) and second-order magneto-optical effects (Schafer-Hubert and Voigt effects) as well as intrinsically anomalous transport properties (anomalous Hall, anomalous Nernst, and anomalous thermal Hall effects) of two-dimensional van der Waals layered magnets CrXY (X = S, Se, Te; Y = Cl, Br, I) by using the first-principles calculations. Our results show that monolayer and bilayer CrXY (X = S, Se) are narrow band gap semiconductors, whereas monolayer and bilayer CrTeY are multi-band metals. The magnetic ground states of bilayer CrXY and the easy magnetization axis of monolayer and bilayer CrXY are confirmed by the magnetocrystalline anisotropy energy calculations. Utilizing magnetic group theory analysis, the first-order magneto-optical effects as well as anomalous Hall, anomalous Nernst, and anomalous thermal Hall effects are identified to exist in ferromagnetic state with out-of-plane magnetization. The second-order magneto-optical effects are not restricted by the above symmetry requirements, and therefore can arise in ferromagnetic and antiferromagnetic states with in-plane magnetization. The calculated results are compared with the available theoretical and experimental data of other two-dimensional magnets and some conventional ferromagnets. The present work reveals that monolayer and bilayer CrXY with superior magneto-optical responses and anomalous transport properties provide an excellent material platform for the promising applications of magneto-optical devices, spintronics, and spin caloritronics.

19 pages, 12 figures

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Cited by in corpus (8)

• Magneto-optical Kerr effect in ferroelectric antiferromagnetic two-dimensional heterostructures
• Anisotropic Electron-Hole Excitation and Large Linear Dichroism in Two-Dimensional Ferromagnet CrSBr with In-Plane Magnetization
• Layer Control of Magneto-Optical Effects and Their Quantization in Spin-Valley Splitting Antiferromagnets
• Mott insulating phase and coherent-incoherent crossover across magnetic phase transition in 2D antiferromagnetic CrSBr
• Anisotropic linear and non-linear excitonic optical properties of buckled monolayer semiconductors
• Second-order topological magneto-optical effects in noncoplanar antiferromagnets
• Ferroelectric Antiferromagnetic Lifting of Spin-Valley Degeneracy
• Intrinsic and extrinsic anomalous transport properties in noncollinear antiferromagnetic Mn${}_3$Sn from first-principle calculations