Influence of the effective layer thickness on the groundstate and excitonic properties of transition-metal dichalcogenide systems

Abstract

A self-consistent scheme for the calculations of the interacting groundstate and the near bandgap optical spectra of mono- and multilayer transition-metal-dichalcogenide systems is presented. The approach combines a dielectric model for the Coulomb interaction potential in a multilayer environment, gap equations for the renormalized groundstate, and the Dirac-Wannier-equation to determine the excitonic properties. To account for the extension of the individual monolayers perpendicular to their basic plane, an effective thickness parameter in the Coulomb interaction potential is introduced. Numerical evaluations for the example of MoS${}_2$ show that the resulting finite size effects lead to significant modifications in the optical spectra, reproducing the experimentally observed non hydrogenic features of the excitonic resonance series. Applying the theory for multi-layer configurations, a consistent description of the near bandgap optical properties is obtained all the way from monolayer to bulk. In addition to the well-known in-plane excitons, also interlayer excitons occur in multilayer systems suggesting a reinterpretation of experimental results obtained for bulk material.

arXiv comment15 pages, 12 figures

References in corpus (32)

• Atomically thin MoS2: A new direct-gap semiconductor
• 2D materials and van der Waals heterostructures
• Coupled spin and valley physics in monolayers of MoS2 and other group-VI dichalcogenides
• Observation of tightly bound trions in monolayer MoS2
• Exciton Binding Energy and Nonhydrogenic Rydberg Series in Monolayer WS2
• Observation of giant bandgap renormalization and excitonic effects in a monolayer transition metal dichalcogenide semiconductor
• How does quantum confinement influence the electronic structure of transition metal sulfides TmS2
• Electrical Control of Two-Dimensional Neutral and Charged Excitons in a Monolayer Semiconductor
• Tightly bound excitons in monolayer WSe2
• Computational 2D Materials Database: Electronic Structure of Transition-Metal Dichalcogenides and Oxides
• Optical signature of symmetry variations and spin-valley coupling in atomically thin tungsten dichalcogenides
• Probing Excitonic Dark States in Single-layer Tungsten Disulfide
• Theory of Neutral and Charged Excitons in Monolayer Transition Metal Dichalcogenides
• Quasiparticle band structures and optical properties of strained monolayer MoS2 and WS2
• Exciton Binding Energy of Monolayer WS2
• Dielectric screening in two-dimensional insulators: Implications for excitonic and impurity states in graphane
• Non-linear Optical Spectroscopy of Excited Exciton States for Efficient Valley Coherence Generation in WSe2 Monolayers
• Probing excitonic states in ultraclean suspended two-dimensional semiconductors by photocurrent spectroscopy
• Tight-binding model and direct-gap/indirect-gap transition in single-layer and multi-layer MoS${}_2$
• Screening and Many-Body Effects in Two-Dimensional Crystals: Monolayer MoS${}_2$
• Exciton band structure of monolayer MoS2
• Excitons in van der Waals heterostructures: The important role of dielectric screening
• The dielectric genome of van der Waals heterostructures
• Berry phase modification to the energy spectrum of excitons
• Magneto-excitons in large area CVD grown monolayer MoS${}_2$ and MoSe${}_2$ on sapphire
• Intrinsic exciton states mixing and non-linear optical properties in transition metal dichalcogenide monolayers
• Ultra-low power threshold for laser induced changes in optical properties of 2D Molybdenum dichalcogenides
• Excitons and trions in monolayer transition metal dichalcogenides: A comparative study between the multiband model and the quadratic single-band model
• Optical Response and Ground State of Graphene
• Raman Spectroscopy of Graphene
• Excitonic Collapse in Semiconducting Transition Metal Dichalcogenides
• Optically bright $p$-excitons indicating strong Coulomb coupling in transition-metal dichalcogenides

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• Ultrafast band-gap renormalization and build-up of optical gain in monolayer MoTe${}_2$
• Electrostatics of electron-hole interactions in van der Waals heterostructures
• Frequency-dependent substrate screening of excitons in atomically thin transition metal dichalcogenide semiconductors
• A method to restore the intrinsic dielectric functions of 2D materials in periodic calculations and its applications to the dielectric and optical properties of ultrathin h-BN and MoS2
• Anomalous Stark Shift of Excitonic Complexes in Monolayer Semiconductor
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• Combined tensor network/cluster expansion method using logic gates: Illustrated for (bi-)excitons by a single layer MoS${}_2$ model system
• Superradiant coupling effects in transition-metal dichalcogenides
• Tensor network strategies for calculating biexcitons and trions in monolayer 2D materials beyond the ground state
• Coulomb effects in the absorbance spectra of two-dimensional Dirac materials
• Effect of intravalley and intervalley electron-hole exchange on the nonlinear optical response of monolayer MoSe${}_2$
• Excitons in Atomically Thin TMD in Electric and Magnetic Fields
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• Energy shifts and broadening of excitonic resonances in electrostatically-doped semiconductors
• Long-lived Nonlinear Oscillatory States in Interacting Relativistic Bose-Einstein Condensates
• Optical Measurement of Pseudo-Spin Texture of the Exciton Fine-Structure in Monolayer WSe2 within the Light Cone