Phonon dispersion of MoS${}_2$

Abstract

Transition metal dichalcogenides like MoS${}_2$, MoSe${}_2$, WS${}_2$, and WSe${}_2$ have attracted enormous interest during recent years. They are van-der-Waals crystals with highly anisotropic properties, which allows exfoliation of individual layers. Their remarkable physical properties make them promising for applications in optoelectronic, spintronic, and valleytronic devices. Phonons are fundamental to many of the underlying physical processes, like carrier and spin relaxation or exciton dynamics. However, experimental data of the complete phonon dispersion relations in these materials is missing. Here we present the phonon dispersion of bulk MoS${}_2$ in the high-symmetry directions of the Brillouin zone, determined by inelastic X-ray scattering. Our results underline the two-dimensional nature of MoS${}_2$. Supported by first-principles calculations, we determine the phonon displacement patterns, symmetry properties, and scattering intensities. The results will be the basis for future experimental and theoretical work regarding electron-phonon interactions, intervalley scattering, as well as phonons in related 2D materials.

References in corpus (29)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Atomically thin MoS2: A new direct-gap semiconductor
• Restoring the density-gradient expansion for exchange in solids and surfaces
• Generalized gradient approximation for solids and their surfaces
• Van der Waals heterostructures
• 2D materials and van der Waals heterostructures
• Van der Waals Density Functional for General Geometries
• Coupled spin and valley physics in monolayers of MoS2 and other group-VI dichalcogenides
• Control of valley polarization in monolayer MoS2 by optical helicity
• Optimized norm-conserving Vanderbilt pseudopotentials
• A Higher-Accuracy van der Waals Density Functional
• Exciton Binding Energy and Nonhydrogenic Rydberg Series in Monolayer WS2
• The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
• Phonons in single and few-layer MoS2 and WS2
• Born-Oppenheimer Breakdown in Graphene
• Electric Field Effect Tuning of Electron-Phonon Coupling in Graphene
• Excitonic linewidth and coherence lifetime in monolayer transition metal dichalcogenides
• The phonon dispersion of graphite by inelastic x-ray scattering
• Long-lived nanosecond spin relaxation and spin coherence of electrons in monolayer MoS_2 and WS_2
• Momentum-space indirect interlayer excitons in transition metal dichalcogenide van der Waals heterostructures
• Physically founded phonon dispersions of few-layer materials, and the case of borophene
• Strongly anisotropic spin relaxation in graphene/transition metal dichalcogenide heterostructures at room temperature
• Interlayer excitons in MoSe${}_2$/WSe${}_2$ heterostructures from first-principles
• Newly observed first-order resonant Raman modes in few-layer MoS${}_2$
• Light-Matter Interactions in Two-Dimensional Transition Metal Dichalcogenides: Dominant Excitonic Transitions in mono- and few-layer MoX${}_2$ and Band Nesting
• Interatomic force constants including the DFT-D dispersion contribution
• Resonance profiles of valley polarization in single-layer MoS${}_2$ and MoSe${}_2$
• Phonons in Crystals using Inelastic X-Ray Scattering
• Group Theory analysis of phonons in two-dimensional Transition Metal Dichalcogenides

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• Molecular potentials for 2D molybdenum disulphide: transferability and performance
• Phonons in MoSe2/WSe2 van der Waals heterobilayer
• Phonons and phase symmetries in bulk $CrC{l}_3$ from scattering measurements and theory
• Acoustic phonon dispersion of $\alpha$-RuCl${}_3$
• Excitons in epitaxially grown WS2 on Graphene: a nanometer-resolved EELS and DFT study
• The maximal superconductivity in proximity to charge density wave quantum critical point in Cu${}_x$TiSe${}_2$
• Renormalization of the optical band gap through an effective Thirring interaction for massive Dirac-like electrons
• Modeling of second sound in carbon nanostructures