Electronic polarizability as the fundamental variable in the dielectric properties of two-dimensional materials

Abstract

The dielectric constant, which defines the polarization of the media, is a key quantity in condensed matter. It determines several electronic and optoelectronic properties important for a plethora of modern technologies from computer memory to field effect transistors and communication circuits. Moreover, the importance of the dielectric constant in describing electromagnetic interactions through screening plays a critical role in understanding fundamental molecular interactions. Here we show that despite its fundamental transcendence, the dielectric constant does not define unequivocally the dielectric properties of two-dimensional (2D) materials due to the locality of their electrostatic screening. Instead, the electronic polarizability correctly captures the dielectric nature of a 2D material which is united to other physical quantities in an atomically thin layer. We reveal a long-sought universal formalism where electronic, geometrical and dielectric properties are intrinsically correlated through the polarizability opening the door to probe quantities yet not directly measurable including the real covalent thickness of a layer. We unify the concept of dielectric properties in any material dimension finding a global dielectric anisotropy index defining their controllability through dimensionality.

References in corpus (35)

• 2D materials and van der Waals heterostructures
• A Higher-Accuracy van der Waals Density Functional
• Exciton Binding Energy and Nonhydrogenic Rydberg Series in Monolayer WS2
• Tunable Band Gap and Anisotropic Optical Response in Few-layer Black Phosphorus
• Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
• Measurement of the optical dielectric function of transition metal dichalcogenide monolayers: MoS2, MoSe2, WS2 and WSe2
• The Computational 2D Materials Database: High-Throughput Modeling and Discovery of Atomically Thin Crystals
• Theory of Neutral and Charged Excitons in Monolayer Transition Metal Dichalcogenides
• Dielectric screening in two-dimensional insulators: Implications for excitonic and impurity states in graphane
• Plasmons and screening in monolayer and multilayer black phosphorus
• Charge transport and mobility engineering in two-dimensional transition metal chalcogenide semiconductors
• An exact Coulomb cutoff technique for supercell calculations
• Huge excitonic effects in layered hexagonal boron nitride
• Ab initio study of BaTiO3 and PbTiO3 surfaces in external electric fields
• How dielectric screening in two-dimensional crystals affects the convergence of excited-state calculations: Monolayer MoS${}_2$
• The dielectric genome of van der Waals heterostructures
• Two-dimensional Fröhlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations
• Simple Screened Hydrogen Model of Excitons in Two-Dimensional Materials
• Strong charge-transfer excitonic effects and Bose-Einstein exciton-condensate in graphane
• Dielectric Screening in Atomically Thin Boron Nitride Nanosheets
• Breakdown of optical phonons' splitting in two-dimensional materials
• Thickness-dependent Dielectric Constant of Few-layer In2Se3 Nano-flakes
• Broad Band Optical Properties of Large Area Monolayer CVD Molybdenum Disulfide
• $C_6$ coefficients and dipole polarizabilities for all atoms and many ions in rows 1-6 of the periodic table
• Imaging ellipsometry of graphene
• Stark effect spectroscopy of mono- and few-layer MoS${}_2$
• Thickness and electric field dependent polarizability and dielectric constant in phosphorene
• Quantum confined Stark effect in a MoS${}_2$ monolayer van der Waals heterostructure
• Influence of the effective layer thickness on the groundstate and excitonic properties of transition-metal dichalcogenide systems
• Electronic excitations in quasi-2D crystals: What theoretical quantities are relevant to experiment?
• Asymmetric Electric Field Screening in van der Waals Heterostructures
• Electric fields with ultrasoft pseudo-potentials: applications to benzene and anthracene
• Electronic Structure of Single- and Multiple-shell Carbon Fullerenes
• Suppressed out-of-plane polarizability of free excitons in monolayer WSe${}_2$
• The static electric polarizability of a particle bound by a finite potential well

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• Anisotropic properties of monolayer 2D materials: an overview from the C2DB database
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• Microscopic theory of the polarizability of transition metal dichalcogenides excitons: Application to WSe2
• Anisotropic linear and non-linear excitonic optical properties of buckled monolayer semiconductors
• Ab initio property characterisation of thousands of previously unknown 2D materials
• Controlling the excitation spectrum of a quantum dot array with a photon cavity
• Redefining the dielectric response of nanoconfined liquids: insights from water
• Third-order polarizability of interlayer excitons in hetero-bilayers
• Tunable nonlinear excitonic optical response in biased bilayer graphene
• Determination of Dielectric Functions and Exciton Oscillator Strength of Two-Dimensional Hybrid Perovskites
• Wannier Excitons Confined in Hexagonal Boron Nitride Triangular Quantum Dots
• Hyperbolic Dispersion and Low-Frequency Plasmons in Electrides
• First-Principles Nanocapacitor Simulations of the Optical Dielectric Constant in Water Ice
• Microscopic origin of Rashba coupling from first principles: Layer-resolved orbital asymmetry in transition metal dichalcogenides
• Tuning electronic properties and Schottky contact in graphene-based van der Waals heterostructures by electric gating and interlayer coupling
• Excitonic instability in transition metal dichalcogenides
• Exact long-range dielectric screening and interatomic force constants in quasi-2D crystals
• Elastic Constants and Bending Rigidities from Long-Wavelength Perturbation Expansions