Intrinsic spin Hall effect in monolayers of group-VI dichalcogenides: A first-principles study

Abstract

Using first-principles calculations within density functional theory, we investigate the intrinsic spin Hall effect in monolayers of group-VI transition-metal dichalcogenides MX2 (M = Mo, W and X = S, Se). MX2 monolayers are direct band-gap semiconductors with two degenerate valleys located at the corners of the hexagonal Brillouin zone. Because of the inversion symmetry breaking and the strong spin-orbit coupling, charge carriers in opposite valleys carry opposite Berry curvature and spin moment, giving rise to both a valley- and a spin-Hall effect. The intrinsic spin Hall conductivity (ISHC) in p-doped samples is found to be much larger than the ISHC in n-doped samples due to the large spin-splitting at the valence band maximum. We also show that the ISHC in inversion-symmetric bulk dichalcogenides is an order of magnitude smaller compared to monolayers. Our result demonstrates monolayer dichalcogenides as an ideal platform for the integration of valleytronics and spintronics.

arXiv commentpublished version (7 pages, 6 figures)

References in corpus (25)

• Electric Field Effect in Atomically Thin Carbon Films
• Atomically thin MoS2: A new direct-gap semiconductor
• Two Dimensional Atomic Crystals
• Berry Phase Effects on Electronic Properties
• Coupled spin and valley physics in monolayers of MoS2 and other group-VI dichalcogenides
• Maximally-localized generalized Wannier functions for composite energy bands
• Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions
• Control of valley polarization in monolayer MoS2 by optical helicity
• Valley polarization in MoS2 monolayers by optical pumping
• MoS_2 as an ideal material for valleytronics: valley-selective circular dichroism and valley Hall effect
• Valley contrasting physics in graphene: magnetic moment and topological transport
• Maximally-localized Wannier functions for entangled energy bands
• Valley filter and valley valve in graphene
• Valley Dependent Optoelectronics from Inversion Symmetry Breaking
• Intrinsic and Rashba Spin-orbit Interactions in Graphene Sheets
• First Principles Calculation of Anomalous Hall Conductivity in Ferromagnetic bcc Fe
• Spin-orbit gap of graphene: First-principles calculations
• Ab initio calculation of the anomalous Hall conductivity by Wannier interpolation
• Graphene valley filter using a line defect
• Spectral and Fermi surface properties from Wannier interpolation
• Spin Hall Insulator
• Valley susceptibility of an interacting two-dimensional electron system
• Field-induced polarisation of Dirac valleys in bismuth
• Ab initio calculation of intrinsic spin Hall effect in semiconductors
• Sign Changes of Intrinsic Spin Hall Effect in Semiconductors and Simple Metals: First-Principles Calculations

Cited by in corpus (83)

• Mobility engineering and metal-insulator transition in monolayer MoS2
• k.p theory for two-dimensional transition metal dichalcogenide semiconductors
• Three-band tight-binding model for monolayers of group-VIB transition metal dichalcogenides
• Electronic structures and theoretical modelling of two-dimensional group-VIB transition metal dichalcogenides
• Concepts of Ferrovalley Material and Anomalous Valley Hall Effect
• Colloquium: Spintronics in graphene and other two-dimensional materials
• Electronic properties of the MoS2-WS2 heterojunction
• Magnetic ground state of semiconducting transition metal trichalcogenide monolayers
• Large spin splitting in the conduction band of transition metal dichalcogenide monolayers
• Monolayer MoS2: trigonal warping, "Γ-valley", and spin-orbit coupling effects
• Tight-binding model and direct-gap/indirect-gap transition in single-layer and multi-layer MoS${}_2$
• Light Generation and Harvesting in a Van der Waals Heterostructure
• Strong Rashba-Edelstein Effect-Induced Spin-Orbit Torques in Monolayer Transition-Metal Dichalcogenide/Ferromagnet Bilayers
• Room temperature spin Hall effect in graphene/MoS${}_2$ van der Waals heterostructures
• Electronic properties of single-layer and multilayer transition metal dichalcogenides $M{X}_2$ ($M=$ Mo, W and $X=$ S, Se)
• Charge-to-Spin Conversion by the Rashba-Edelstein Effect in 2D van der Waals Heterostructures up to Room Temperature
• \textit{Ab-initio} Tight-Binding Hamiltonian for Transition Metal Dichalcogenides
• Valley-dependent properties of monolayer MoSi${}_2$N${}_4$, WSi${}_2$N${}_4$ and MoSi${}_2$As${}_4$
• Large valley splitting in monolayer WS${}_2$ by proximity coupling to an insulating antiferromagnetic substrate
• Spin-Orbit mediated spin relaxation in monolayer MoS2
• Quantum Spin Hall Effect in Two-dimensional Crystals of Transition Metal Dichalcogenides
• Tricritical behavior of two-dimensional intrinsic ferromagnetic semiconducting CrGeTe3
• Transport in two-dimensional topological materials: recent developments in experiment and theory
• Spintronics in MoS_2 monolayer quantum wires
• Momentum dependence of spin-orbit interaction effects in single-layer and multi-layer transition metal dichalcogenides
• Intrinsic orbital moment and prediction of a large orbital Hall effect in the 2D transition metal dichalcogenides
• Orbital Hall Insulating Phase in Transition Metal Dichalcogenide Monolayers
• Giant spin-orbit splitting of point defect states in monolayer WS${}_2$
• Experimental observation of hidden Berry curvature in inversion-symmetric bulk 2H-WSe2
• Longitudinal and spin/valley Hall optical conductivity in single layer $Mo{S}_2$
• Atomic defect states in monolayers of MoS${}_2$ and WS${}_2$
• Intrinsic orbital and spin Hall effects in monolayer transition metal dichalcogenides
• All-Optical Materials Design of Chiral Edge Modes in Transition-Metal Dichalcogenides
• Ab-initio studies of exciton $g$ factors: Monolayer transition metal dichalcogenides in magnetic fields
• Electrically tunable polarizer based on two-dimensional orthorhombic ferrovalley materials
• Thermally driven pure spin and valley current via anomalous Nernst effect in monolayer group-VI dichalcogenides
• Spin Hall effect in spin-valley coupled monolayer transition-metal dichalcogenides
• Edge modes in zigzag and armchair ribbons of monolayer MoS${}_2$
• Giant Spin-valley Polarization and Multiple Hall Effect in Functionalized Bi Monolayers
• Strain effects on the spin-orbit induced band structure splittings in monolayer MoS2 and graphene
• Valley Zeeman effect and Landau levels in Two-Dimensional Transition Metal Dichalcogenides
• Pure spin currents in magnetically ordered insulator/normal metal heterostructures
• Quantum Spin-quantum Anomalous Hall Effect with Tunable Edge States in Sb Monolayer-based Heterostructures
• Direct Observation of Valley Coupled Topological Current in MoS${}_2$
• Giant spin Hall Effect in two-dimensional monochalcogenides
• Computation of intrinsic spin Hall conductivities from first principles using maximally-localized Wannier functions
• Tuning Topological Phase Transitions in Hexagonal Photonic Lattices Made of Triangular Rods
• Two-dimensional rare-earth Janus 2$\text{H}$-Gd$\text{XY}$ ($\text{X}$,$\text{Y}$=Cl, Br, I, $\text{X}$$\ne$$\text{Y}$) monolayers: Bipolar ferro-magnetic semiconductors with high Curie temperature and large valley polarization
• Spin-valley relaxation and quantum transport regimes in two-dimensional transition metal dichalcogenides
• Spin-Orientation Dependent Topological States in Two-Dimensional Antiferromagnetic NiTl${}_2$S${}_4$ Monolayers
• Spin memory and spin-lattice relaxation in two-dimensional hexagonal crystals
• Spin-resolved optical conductivity of two-dimensional group-VIB transition-metal dichalcogenides
• Intrinsic spin Hall effect in topological insulators: A first-principles study
• Valley Degree of Freedom in Two-Dimensional van der Waals Materials
• Linear magnetotransport in monolayer MoS${}_2$
• Spin and orbital transport in rare earth dichalcogenides: The case of EuS${}_2$
• Spin-dependent Refraction at the Atomic Step of Transition-metal Dichalcogenides
• Chern insulators without band inversion in MoS2 monolayers with 3d adatoms
• Conductivity of Dirac fermions with phonon induced topological crossover
• Orbital magnetic susceptibility of graphene and MoS2
• Multi-flavor Dirac fermions in Kekulé-distorted graphene bilayers
• Berry curvature in monolayer MoS${}_2$ with broken mirror symmetry
• Optical induced Spin Current in Monolayer NbSe${}_2$
• Spin to charge conversion in MoS${}_2$ monolayer with spin pumping
• Spin relaxation in hole-doped transition metal dichalcogenide monolayer and bilayer with the crystal defects
• Ab initio calculations of spin-nonconserving exciton-phonon scattering in monolayer transition metal dichalcogenides
• Electron-phonon correlations on spin texture of gapped helical Dirac Fermions
• A spincaloritronic battery
• High-throughput calculations of spin Hall conductivity in non-magnetic 2D materials
• Disorder- and Topology-Enhanced Fully Spin-Polarized Currents in Nodal Chain Spin-Gapless Semimetals
• Controllable Spin Current in van der Waals Ferromagnet Fe3GeTe2
• Geometric band properties in strained monolayer transition metal dichalcogenides using simple band structures
• Orbital magnetic moments in insulating Dirac systems: Impact on magnetotransport in graphene van der Waals heterostructures
• All-Optical Control of Magnetization in Quantum-Confined Ultrathin Magnetic Metals
• Valley-polarization and stable triplet exciton formation in 2D lateral heterostrcuture of hBN-kagome and graphene
• Dichotomy of saddle points in energy bands of a monolayer NbSe${}_2$
• Optically induced spin Hall current in Janus transition-metal dichalcogenides
• Enhanced Spin Hall Ratio in Two-Dimensional Semiconductors
• Emergent Quantum Phenomena of Noncentrosymmetric Charge-Density Wave in 1T-Transition Metal Dichalcogenides
• Berry curvature and quantum metric in copper-substituted lead phosphate apatite
• Phase Transition and Field Effect Topological Quantum Transistor made of monolayer MoS2
• Wannier interpolation of spin accumulation coefficient
• Microscopic origin of Rashba coupling from first principles: Layer-resolved orbital asymmetry in transition metal dichalcogenides