Binding energies of exciton complexes in transition metal dichalcogenides and effect of dielectric environment

Abstract

Excitons, trions, biexcitons, and exciton-trion complexes in two-dimensional transition metal dichalcogenide sheets of MoS${}_2$, MoSe${}_2$, MoTe${}_2$, WS${}_2$ and WSe${}_2$ are studied by means of density functional theory and path integral Monte Carlo method in order to accurately account for the particle-particle correlations. In addition, the effect of dielectric environment on the properties of these exciton complexes is studied by modifying the effective interaction potential between particles. Calculated exciton and trion binding energies are consistent with previous experimental and computational studies, and larger systems such as biexciton and exciton-trion complex are found highly stable. Binding energies of biexcitons are similar or higher than those of trions, but the binding energy of the trion depends significantly stronger on the dielectric environment than that of biexciton. Therefore, as a function of an increasing dielectric constant of the environment the exciton-trion complex "dissociates" to a biexciton rather than to an exciton and a trion.

5 pages, 4 figures

References in corpus (12)

• Observation of giant bandgap renormalization and excitonic effects in a monolayer transition metal dichalcogenide semiconductor
• Tightly bound excitons in monolayer WSe2
• Probing Excitonic Dark States in Single-layer Tungsten Disulfide
• Exciton Binding Energy of Monolayer WS2
• Nonanalyticity, Valley Quantum Phases, and Light-like Exciton Dispersion in Monolayer TMDs: Theory and First-Principles Calculations
• Excitons in anisotropic 2D semiconducting crystals
• Testing several recent van der Waals density functionals for layered structures
• Molecular-beam epitaxy of monolayer and bilayer WSe2: A scanning tunneling microscopy/spectroscopy study and deduction of exciton binding energy
• Binding energies and spatial structures of small carrier complexes in monolayer transition metal dichalcogenides via diffusion Monte Carlo
• Three-particle Complexes in Two-Dimensional Semiconductors
• Exciton complexes in low dimensional transition metal dichalcogenides
• Beyond the Born-Oppenheimer approximation with quantum Monte Carlo

Cited by in corpus (121)

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• Probing the influence of dielectric environment on excitons in monolayer WSe2: Insight from high magnetic fields
• Neutral and Charged Inter-Valley Biexcitons in Monolayer MoSe${}_2$
• Twist Angle Dependent Interlayer Exciton Lifetimes in van der Waals Heterostructures
• Phonon-assisted Photoluminescence from Dark Excitons in Monolayers of Transition Metal Dichalcogenides
• Interlayer hybridization and moiré superlattice minibands for electrons and excitons in heterobilayers of transition-metal dichalcogenides
• Coulomb-bound four- and five-particle valleytronic states in an atomically-thin semiconductor
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• Diffusion quantum Monte Carlo study of excitonic complexes in two-dimensional transition-metal dichalcogenides
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• Engineering of Neutral Excitons and Exciton Complexes in Transition Metal Dichalcogenide Monolayers through External Dielectric Screening
• Zeeman Splitting and Inverted Polarization of Biexciton Emission in Monolayer WS2
• Discrete Interactions between a few Interlayer Excitons Trapped at a MoSe${}_2$-WSe${}_2$ Heterointerface
• Theory of exciton-electron scattering in atomically thin semiconductors
• Shedding Light on Moire Excitons: A First-Principles Perspective
• Exciton-Scattering-Induced Dephasing in Two-Dimensional Semiconductors
• Singlet and triplet trions in WS${}_2$ monolayer encapsulated in hexagonal boron nitride
• Electronic band structure of Two-Dimensional WS2/Graphene van der Waals Heterostructures
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• Room temperature observation of biexcitons in exfoliated WS2 monolayers
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• Towards superfluidity of dipolar excitons in a TMDC double layer
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• Long valley lifetime of free carriers in monolayer WSe2
• Exciton-polaron interactions in monolayer WS${}_2$
• Excitons, trions, and biexcitons in transition metal dichalcogenides: magnetic field dependence
• Dependence of the hBN Layer Thickness on the Band Structure and Exciton Properties of Encapsulated WSe2 Monolayers
• Dark trions and biexcitons in WS2 and WSe2 made bright by e-e scattering
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• Prospects and limitations of transition-metal dichalcogenide laser gain materials
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• Direct observation of giant binding energy modulation of exciton complexes in monolayer MoSe${}_2$
• Polariton interactions in microcavities with atomically thin semiconductor layers
• Enhanced screening and spectral diversity in many-body elastic scattering of excitons in two-dimensional hybrid metal-halide perovskites
• Trion induced photoluminescence of a doped MoS2 monolayer
• Dark-exciton driven energy funneling into dielectric inhomogeneities in two-dimensional semiconductors
• Vibrational and dielectric properties of the bulk transition metal dichalcogenides
• On the Optical Properties of Excitons in Buckled 2D Materials in an External Electric Field
• Few-body systems in condensed matter physics
• Optical nonlinearities of excitons in monolayer MoS2
• Twist-dependent intra- and interlayer excitons in moire MoSe2 homobilayers
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• A colloquium on the variational method applied to excitons in 2D materials
• Three-particle states and brightening of intervalley excitons in a doped MoS${}_2$ monolayer
• Direct Measurement of Biexcitons in Monolayer WS2
• Exciton routing in the heterostructure of TMD and paraelectrics
• Quantum anomalous Hall effect and electric-field-induced topological phase transition in AB-stacked MoTe${}_2$/WSe${}_2$ moiré heterobilayers
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• Excitons and trions in monolayer semiconductors with correlated electrons
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• Theory of the Coherent Response of Magneto-Excitons and Magneto-Biexcitons in Monolayer Transition Metal Dichalcogenides
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• Exact long-range dielectric screening and interatomic force constants in quasi-2D crystals
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