Exciton band structure in two-dimensional materials

Abstract

Low-dimensional materials differ from their bulk counterpart in many respects. In particular, the screening of the Coulomb interaction is strongly reduced, which can have important consequences such as the significant increase of exciton binding energies. In bulk materials the binding energy is used as an indicator in optical spectra to distinguish different kinds of excitons, but this is not possible in low-dimensional materials, where the binding energy is large and comparable in size for excitons of very different localization. Here we demonstrate that the exciton band structure, which can be accessed experimentally, instead provides a powerful way to identify the exciton character. By comparing the ab initio solution of the many-body Bethe-Salpeter equation for graphane and single-layer hexagonal BN, we draw a general picture of the exciton dispersion in two-dimensional materials, highlighting the different role played by the exchange electron-hole interaction and by the electronic band structure. Our interpretation is substantiated by a prediction for phosphorene.

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Cited by in corpus (54)

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• Excitons in hexagonal boron nitride single-layer: a new platform for polaritonics in the ultraviolet
• Ab Initio Calculations of Exciton Radiative Lifetimes in Bulk Crystals, Nanostructures and Molecules
• A library of ab initio Raman spectra for automated identification of 2D materials
• Spin-Triplet Excitonic Insulator: The Case of Graphone
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• Signatures of Dimensionality and Symmetry in Exciton Bandstructure: Consequences for Time-Evolution
• Probing exciton dispersions of freestanding monolayer WSe2 by momentum resolved electron energy loss spectroscopy
• Excitons in van der Waals materials: from monolayer to bulk hexagonal boron nitride
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• Ultrafast nonequilibrium evolution of excitonic modes in semiconductors
• Theory of excitonic polarons: From models to first-principles calculations
• Gauge invariance of excitonic linear and nonlinear optical response
• Many-body quantum Monte Carlo study of 2D materials: cohesion and band gap in single-layer phosphorene
• Trion induced photoluminescence of a doped MoS2 monolayer
• Exciton formation assisted by longitudinal optical phonons in monolayer transition metal dichalcogenides
• Angular resolved electron energy loss spectroscopy in hexagonal boron nitride
• Unified Treatment of Magnons and Excitons in Monolayer CrI${}_3$ from Many-Body Perturbation Theory
• Two-photon absorption in two-dimensional materials: The case of hexagonal boron nitride
• Dimensionality and Anisotropicity Dependence of Radiative Recombination in Nanostructured Phosphorene
• 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
• Exciton in phosphorene: Strain, impurity, thickness and heterostructure
• Ab initio simulation of attosecond transient absorption spectroscopy in two-dimensional materials
• $h$-AlN-Mg(OH)${}_2$ vdW Bilayer Heterostructure: Tuning the excitonic characteristics
• Excitons, Optical Spectra, and Electronic Properties of Semiconducting Hf-based MXenes
• Giant exciton-phonon coupling and zero-point renormalization in hexagonal monolayer boron nitride
• Decomposition and embedding in the stochastic $GW$ self-energy
• Critical assessment of $G_0{W}_0$ calculations for 2D materials: the example of monolayer MoS${}_2$
• Delocalization of dark and bright excitons in flat-band materials and the optical properties of V${}_2$O${}_5$
• Strong exciton regulation of Raman scattering in monolayer dichalcogenides
• Non-Generic Dispersion of Excitons in the Bulk of WSe${}_2$
• Combining Renormalized Singles $GW$ Methods with the Bethe-Salpeter Equation for Accurate Neutral Excitation Energies
• Combining Localized Orbital Scaling Correction and Bethe-Salpeter Equation for Accurate Excitation Energies
• Tightly bound excitons in two-dimensional semiconductors with a flat valence band
• Phonon-induced exciton weak localization in two-dimensional semiconductors
• Extremely imbalanced two-dimensional electron-hole-photon systems
• High Performance Solution of Skew-symmetric Eigenvalue Problems with Applications in Solving the Bethe-Salpeter Eigenvalue Problem
• Optical absorption and photoluminescence of single layer boron nitride from a first principles cumulant approach
• Identifying Topological Superconductivity in 2D Transition-Metal Dichalcogenides
• Erratum: Photovoltage from ferroelectric domain walls in BiFeO${}_3$
• Mott insulating phase and coherent-incoherent crossover across magnetic phase transition in 2D antiferromagnetic CrSBr
• Expeditious computation of nonlinear optical properties of arbitrary order with native electronic interactions in the time domain
• Electron energy-loss spectrum and exciton band structure of ${\mathrm{WSe}}_2$ monolayer studied by ab initio Bethe-Salpeter equation calculations
• Investigation of indirect excitons in bulk $2H$-MoS${}_2$ using transmission electron energy-loss spectroscopy
• Localized Excitons in Defective Monolayer Germanium Selenide
• The exciton-polariton properties of hexagonal BN based microcavity and their potential applications in BEC and superconductivity
• Comparison of long-range corrected kernels and range-separated hybrids for excitons in solids
• The impact of stress on the electronic structure of phosphorus allotropes stacked on hexagonal boron nitride
• Dimensionality-Dependent Exciton Dispersion in a Single-Band Mott Insulator
• Spin-polarized triplet excitonic insulators in Ta3X8 (X=I, Br) monolayers
• Gauge-invariant optical selection rules for excitons