Dimensionality of excitons in stacked van der Waals materials: The example of hexagonal boron nitride

Abstract

With the example of hexagonal boron nitride, we demonstrate how the character of electron-hole (e-h) pairs in van der Waals bound low-dimensional systems is driven by layer stacking. Four types of excitons appear, with either a two- or three-dimensional spatial extension. Electron and hole distributions are either overlapping or exhibit a charge-transfer nature. We discuss under which structural and symmetry conditions they appear and they are either dark or bright. This analysis provides the key elements to identify, predict, and possibly tailor the character of e-h pairs in van der Waals materials.

This version includes main text and the Supplemental Material wrapped in one file

References in corpus (44)

• Atomically thin MoS2: A new direct-gap semiconductor
• Van der Waals heterostructures
• 2D materials and van der Waals heterostructures
• Boron nitride substrates for high-quality graphene electronics
• Coupled spin and valley physics in monolayers of MoS2 and other group-VI dichalcogenides
• Ultrafast Charge Transfer in Atomically Thin MoS2/WS2 Heterostructures
• Mixed-Dimensional van der Waals Heterostructures
• Hexagonal boron nitride is an indirect bandgap semiconductor
• Emergence of Superlattice Dirac Points in Graphene on Hexagonal Boron Nitride
• Commensurate-incommensurate transition for graphene on hexagonal boron nitride
• Determination of band alignment in the single layer MoS2/WSe2 heterojunction
• High-temperature superfluidity with indirect excitons in van der Waals heterostructures
• Band Alignment of 2D Semiconductors for Designing Heterostructures with Momentum Space Matching
• Effect of spin-orbit interaction on the excitonic effects in single-layer, double-layer, and bulk MoS2
• Huge excitonic effects in layered hexagonal boron nitride
• Long-lived direct and indirect interlayer excitons in van der Waals heterostructures
• Dependence of band structures on stacking and field in layered graphene
• Room-Temperature Superfluidity in Graphene Bilayers
• Stacking and Registry Effects in Layered Materials: The Case of Hexagonal Boron Nitride
• The Stacking in Bulk and Bilayer Hexagonal Boron Nitride
• Graphite and Hexagonal Boron-Nitride Possess the Same Interlayer Distance. Why?
• Vibrational and optical properties of MoS${}_2$: from monolayer to bulk
• Interlayer excitons and Band Alignment in MoS${}_2$/hBN/WSe${}_2$ van der Waals Heterostructures
• Precisely aligned graphene grown on hexagonal boron nitride by catalyst free chemical vapor deposition
• Strong charge-transfer excitonic effects and Bose-Einstein exciton-condensate in graphane
• High Temperature Superfluidity in Double Bilayer Graphene
• Remarkable effect of stacking on the electronic and optical properties of few layer black phosphorus
• Electron screening and excitonic condensation in double-layer graphene systems
• Probing the inter-layer exciton physics in a MoS${}_2$/MoSe${}_2$/MoS${}_2$ van der Waals heterostructure
• Interlayer excitons in MoSe${}_2$/WSe${}_2$ heterostructures from first-principles
• Excitons and stacking order in h-BN
• Imaging of interlayer coupling in van der Waals heterostructures using a bright-field optical microscope
• Excitons in boron nitride single layer
• Accurate all-electron $G_0{W}_0$ quasiparticle energies employing the full-potential augmented planewave method
• Thickness and electric field dependent polarizability and dielectric constant in phosphorene
• Moire superlattice effects in graphene/boron-nitride van der Waals heterostructures
• Accurate optical properties from first principles: a Quasiparticle Self consistent GW plus Bethe-Salpeter Equation approach
• Electronic and optical properties of bilayer blue phosphorus
• Optical properties of bulk semiconductors and graphene/boron-nitride: The Bethe-Salpeter equation with derivative discontinuity-corrected DFT energies
• Excitons in van der Waals materials: from monolayer to bulk hexagonal boron nitride
• Anisotropic excitonic effects in the energy loss function of hexagonal boron nitride
• Enhanced Light-Matter Interaction in Graphene/h-BN van der Waals Heterostructures
• On the Possibility of Singlet Fission in Crystalline Quaterrylene
• Excitons in few-layer hexagonal boron nitride: Davydov splitting and surface localization

Cited by in corpus (15)

• Direct and indirect excitons in boron nitride polymorphs: a story of atomic configuration and electronic correlation
• Exciton-phonon coupling in the UV absorption and emission spectra of bulk hexagonal boron nitride
• Photoluminescent properties of the carbon-dimer defect in hexagonal boron-nitride: a many-body finite-size cluster approach
• Electronic and optical excitations of two-dimensional ZrS${}_2$ and HfS${}_2$ and their heterostructure
• Non-adiabatic exciton-phonon coupling in Raman spectroscopy of layered materials
• Giant exciton-phonon coupling and zero-point renormalization in hexagonal monolayer boron nitride
• First-principles many-body study of the electronic and optical properties of CsK2Sb, a semiconducting material for ultra-bright electron sources
• MoTe2 as a natural hyperbolic material across the visible and the ultraviolet region
• Structural, electronic, and optical properties of periodic graphene/h-BN van der Waals heterostructures
• Two limit cases of twisted hBN bilayers and their excitonic response
• Donors, Acceptors, and a Bit of Aromatics: Electronic Interactions of Molecular Adsorbates on hBN and MoS${}_2$ Monolayers
• Similarity of materials and data-quality assessment by fingerprinting
• High Performance Solution of Skew-symmetric Eigenvalue Problems with Applications in Solving the Bethe-Salpeter Eigenvalue Problem
• Optical spectra of 2D monolayers from time-dependent density functional theory
• Electronic structure of folded hexagonal boron nitride