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.

arXiv comment19 pages, 12 figures

References in corpus (55)

• Layer-dependent Ferromagnetism in a van der Waals Crystal down to the Monolayer Limit
• Discovery of intrinsic ferromagnetism in 2D van der Waals crystals
• Anomalous Hall effect
• Van der Waals density functionals applied to solids
• Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions
• A Higher-Accuracy van der Waals Density Functional
• Gate-tunable Room-temperature Ferromagnetism in Two-dimensional Fe${}_3$GeTe${}_2$
• Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
• Spin Caloritronics
• Two-Dimensional Itinerant Ising Ferromagnetism in Atomically thin Fe3GeTe2
• First Principles Calculation of Anomalous Hall Conductivity in Ferromagnetic bcc Fe
• Observation of the Magnon Hall Effect
• Berry phase effect in anomalous thermoelectric transport
• Controlling many-body states by the electric-field effect in a two-dimensional material
• Magnetic Order and Symmetry in the 2D Semiconductor CrSBr
• Spectral and Fermi surface properties from Wannier interpolation
• Valley Manipulation by Optically Tuning the Magnetic Proximity Effect in WSe${}_2$/CrI${}_3$ Heterostructures
• Layered Antiferromagnetism Induces Large Negative Magnetoresistance in the van der Waals Semiconductor CrSBr
• Evolution of interlayer and intralayer magnetism in three atomically thin chromium trihalides
• Zero-field Nernst effect in a ferromagnetic kagome-lattice Weyl-semimetal Co3Sn2S2
• Interlayer Electronic Coupling on Demand in a 2D Magnetic Semiconductor
• The thermal Hall effect of spin excitations in a Kagome magnet
• Energy Magnetization and Thermal Hall Effect
• Thermal Hall conductivity in the frustrated pyrochlore magnet Tb2Ti2O7
• Strong magnetization and Chern insulators in compressed graphene/CrI${}_3$ van der Waals heterostructures
• Thermo-Electric Properties of Quantum Point Contacts
• Antisymmetric magnetoresistance in van der Waals Fe3GeTe2/graphite/Fe3GeTe2 tri-layer heterostructures
• Large magneto-optical effects and magnetic anisotropy energy in two-dimensional Cr${}_2$Ge${}_2$Te${}_6$
• Physical origin of giant excitonic and magneto-optical responses in two-dimensional ferromagnetic insulators
• Gate-controllable magneto-optic Kerr effect in layered collinear antiferromagnets
• Optical determination of the Neel vector in a CuMnAs thin-film antiferromagnet
• Large anomalous Nernst effect in a van der Waals ferromagnet Fe${}_3$GeTe${}_2$
• Electrical and Thermal Generation of Spin Currents by Magnetic Graphene
• Triaxial magnetic anisotropy in the two-dimensional ferromagnetic semiconductor CrSBr
• A family of high-temperature ferromagnetic monolayers with locked spin-dichroism-mobility anisotropy: MnNX and CrCX (X=Cl, Br, I; C=S, Se, Te)
• Exciton g-factors of van der Waals heterostructures from first principles calculations
• Electrically-Tunable High Curie Temperature Two-Dimensional Ferromagnetism in Van der Waals Layered Crystals
• Spin-order dependent anomalous Hall effect and magneto-optical effect in noncollinear antiferromagnets Mn${}_{3}X$N ($X$ = Ga, Zn, Ag, and Ni)
• Topological magneto-optical effects and their quantization in noncoplanar antiferromagnets
• Electrically Controllable Crystal Chirality Magneto-Optical Effects in Collinear Antiferromagnets
• Thermal Hall effect in a phonon-glass Ba${}_3$CuSb${}_2$O${}_9$
• Ab-initio studies of exciton $g$ factors: Monolayer transition metal dichalcogenides in magnetic fields
• Exciton g-factors in monolayer and bilayer WSe${}_2$ from experiment and theory
• Anomalous Thermal Hall Effect in an Insulating van der Waals Magnet VI3
• Magnetism and Magneto-optical Effects in Bulk and Few-layer CrI${}_3$: A Theoretical GGA + U Study
• High Intrinsic Mobility and Ultrafast Carrier Dynamics in Multilayer Metal Dichalcogenide MoS2
• Spin Thermal Hall Conductivity of a Kagomé Antiferromagnet
• Magneto-optical response of chromium trihalide monolayers: chemical trends
• Visualizing Atomically-Layered Magnetism in CrSBr
• Valley Zeeman effect and Landau levels in Two-Dimensional Transition Metal Dichalcogenides
• Strong magneto-optical and anomalous transport manifestations in two-dimensional van der Waals magnets Fe${}_n$GeTe${}_2$ ($n$ = 3, 4, 5)
• Strong anomalous Nernst effect in collinear magnetic Weyl semimetals without net magnetic moments
• Thermal Hall Effects of Spins and Phonons in Kagome Antiferromagnet Cd-Kapellasite
• Systematic study of magnetic linear dichroism and birefringence in (Ga,Mn)As
• Tunable magneto-optical effect, anomalous Hall effect and anomalous Nernst effect in two-dimensional room-temperature ferromagnet $1T$-CrTe${}_2$

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