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.

published version (7 pages, 6 figures)

References in corpus (12)

• Electric Field Effect in Atomically Thin Carbon Films
• Two Dimensional Atomic Crystals
• Valley polarization in MoS2 monolayers by optical pumping
• 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
• Graphene valley filter using a line defect
• Spectral and Fermi surface properties from Wannier interpolation
• Valley susceptibility of an interacting two-dimensional electron system
• Sign Changes of Intrinsic Spin Hall Effect in Semiconductors and Simple Metals: First-Principles Calculations

Cited by in corpus (16)

• k.p theory for two-dimensional transition metal dichalcogenide semiconductors
• Light Generation and Harvesting in a Van der Waals Heterostructure
• Electronic properties of single-layer and multilayer transition metal dichalcogenides $M{X}_2$ ($M=$ Mo, W and $X=$ S, Se)
• Large valley splitting in monolayer WS${}_2$ by proximity coupling to an insulating antiferromagnetic substrate
• Tricritical behavior of two-dimensional intrinsic ferromagnetic semiconducting CrGeTe3
• Intrinsic orbital and spin Hall effects in monolayer transition metal dichalcogenides
• 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
• 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-resolved optical conductivity of two-dimensional group-VIB transition-metal dichalcogenides
• Spin-dependent Refraction at the Atomic Step of Transition-metal Dichalcogenides
• Chern insulators without band inversion in MoS2 monolayers with 3d adatoms
• A spincaloritronic battery
• Electron-phonon correlations on spin texture of gapped helical Dirac Fermions
• Orbital magnetic moments in insulating Dirac systems: Impact on magnetotransport in graphene van der Waals heterostructures