Nonuniversality of the dispersion interaction: analytic benchmarks for van der Waals energy functionals

Abstract

We highlight the non-universality of the asymptotic behavior of dispersion forces, such that a sum of inverse sixth power contributions is often inadequate. We analytically evaluate the cross-correlation energy Ec between two pi-conjugated layers separated by a large distance D within the electromagnetically non-retarded Random Phase Approximation, via a tight-binding model. For two perfect semimetallic graphene sheets at T=0K we find Ec = C D^{-3}, in contrast to the "insulating" D^{-4} dependence predicted by currently accepted approximations. We also treat the case where one graphene layer is replaced by a thin metal, a model relevant to the exfoliation of graphite. Our general considerations also apply to nanotubes, nanowires and layered metals.

4 pages, 0 figs

Cited by in corpus (137)

• Efficient implementation of a van der Waals density functional: Application to double-wall carbon nanotubes
• Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
• Van der Waals bonding in layered compounds from advanced first-principles calculations
• Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory
• Random-phase approximation and its applications in computational chemistry and materials science
• SCAN+rVV10: A promising van der Waals density functional
• Application of van der Waals Density Functional to an Extended System: Adsorption of Benzene and Naphthalene on Graphite
• A Materials Perspective on Casimir and van der Waals Interactions
• The Ground State Correlation Energy of the Random Phase Approximation from a Ring Coupled Cluster Doubles Approach
• Adhesion and electronic structure of graphene on hexagonal boron nitride substrates
• Quantum Monte Carlo Calculation of the Binding Energy of Bilayer Graphene
• Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality
• Finite temperature Casimir effect for graphene
• Stacking domains and dislocation networks in marginally twisted bilayers of transition metal dichalcogenides
• First-Principle Description of Correlation Effects in Layered Materials
• Semilocal and Hybrid Meta-Generalized Gradient Approximations Based on the Understanding of the Kinetic-Energy-Density Dependence
• Simulation and understanding of quantum crystals
• Thermal van der Waals Interaction between Graphene Layers
• Electrostatic interactions between graphene layers and their environment
• Electronic and mechanical properties of few-layer borophene
• Lifshitz-type formulas for graphene and single-wall carbon nanotubes: van der Waals and Casimir interations
• A fractionally ionic approach to polarizability and van der Waals many-body dispersion calculations
• Bending modes, anharmonic effects and thermal expansion coefficient in single layer and multilayer graphene
• Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit
• Particle-particle and quasiparticle random phase approximations: Connections to coupled cluster theory
• Measuring the Casimir force gradient from graphene on a SiO_2 substrate
• Dynamical polarizability of graphene beyond the Dirac cone approximation
• Thermal Casimir-Polder interaction of different atoms with graphene
• Van der Waals interaction between a microparticle and a single-wall carbon nanotube
• Evaluation of van der Waals density functionals for layered materials
• Many-body effects in van der Waals-Casimir interaction between graphene layers
• Thermal Casimir effect in the interaction of graphene with dielectrics and metals
• Van der Waals and Casimir interactions between two graphene sheets
• Origin of the size-dependence of the equilibrium van der Waals binding between nanostructures
• A van der Waals density functional for solids
• Theory of the Casimir interaction for graphene-coated substrates using the polarization tensor and comparison with experiment
• Casimir interactions in graphene systems
• Casimir Force Phase Transitions in the Graphene Family
• Interpretation of van der Waals density functionals
• Enhanced Casimir effect for doped graphene
• f-Sum Rule and Unconventional Spectral Weight Transfer in Graphene
• Two approaches for describing the Casimir interaction with graphene: density-density correlation function versus polarization tensor
• Strain engineered graphene using a nanostructured substrate: I Deformations
• Quantized Casimir Force
• Dispersion interactions between semiconducting wires
• Graphene on Ir(111) surface: From van der Waals to strong bonding
• Nature and strength of bonding in a crystal of semiconducting nanotubes: van der Waals density functional calculations and analytical results
• Polyyne Electronic and Vibrational Properties under Environmental Interactions
• Van der Waals interactions at surfaces by DFT using Wannier functions
• Coupled Cluster Channels in the Homogeneous Electron Gas
• Origin of large thermal effect in the Casimir interaction between two graphene sheets
• Strong thermal and electrostatic manipulation of the Casimir force in graphene multilayers
• Quantum Field Theory in Graphene
• Physical Adsorption at the Nanoscale: Towards Controllable Scaling of the Substrate-Adsorbate van der Waals Interaction
• Temperature dependent graphene suspension due to thermal Casimir interaction
• Quantum reflection of ultracold atoms from thin films, graphene, and semiconductor heterostructures
• Screening nature of the van der Waals density functional method: A review and analysis of the many-body physics foundation
• Range Separated Brueckner Coupled Cluster Doubles Theory
• Dispersion corrections in graphenic systems: a simple and effective model of binding
• van der Waals Interactions Between Thin Metallic Wires and Layers
• Comparison of the hydrodynamic and Dirac models of the dispersion interaction between graphene and H, He${}^{\ast }$, or Na atoms
• Emending thermal dispersion interactions of Li, Na, K and Rb alkali metal-atoms with graphene in the Dirac model
• Van der Waals and Casimir interactions between atoms and carbon nanotubes
• Influence of chemical potential on the Casimir-Polder interaction between an atom and gapped graphene or graphene-coated substrate
• Experimental and theoretical investigation of the thermal effect in the Casimir interaction from graphene
• The Ag...Ag dispersive interaction and exotic physical properties of Ag3Co(CN)6
• Dynamical current-current correlation of the hexagonal lattice and graphene
• Effects of Spatial Dispersion on the Casimir Force between Graphene Sheets
• Anomalous non-additive dispersion interactions in systems of three one-dimensional wires
• How many-body effects modify the van der Waals interaction between graphene sheets
• A theoretical and semiemprical correction to the long-range dispersion power law of stretched graphite
• The Casimir effect: medium and geometry
• van der Waals dispersion power laws for cleavage, exfoliation and stretching in multi-scale, layered systems
• Radiative heat transfer in 2D Dirac materials
• Dispersion C3 coefficients for the alkali-metal atoms interacting with a graphene layer and with a carbon nanotube
• Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of van der Waals forces
• Universality versus material dependence of fluctuation forces between metallic wires
• On the duality of ring and ladder diagrams and its importance for many-electron perturbation theories
• Thermal effect in the Casimir force for graphene and graphene-coated substrates: Impact of nonzero mass gap and chemical potential
• Combinations of coupled cluster, density functionals, and the random phase approximation for describing static and dynamic correlation, and van der Waals interactions
• Casimir and Casimir-Polder Forces in Graphene Systems: Quantum Field Theoretical Description and Thermodynamics
• Colossal Atomic Force Response in van der Waals Materials Arising From Electronic Correlations
• Classical Casimir-Polder force between polarizable microparticles and thin films including graphene
• Kramers-Kronig relations and causality conditions for graphene in the framework of the Dirac model
• How polarizabilities and $C_6$ coefficients actually vary with atomic volume
• Classical limit of the Casimir interaction for thin films with applications to graphene
• Faraday-cage screening reveals intrinsic aspects of the van der Waals attraction
• Ground state of two electrons on concentric spheres
• Signatures of van der Waals binding: a coupling-constant scaling analysis
• Adsorption by design: tuning atom-graphene van der Waals interactions via mechanical strain
• Correlation energies beyond the random-phase approximation: ISTLS applied to spherical atoms and ions
• Casimir and van der Waals forces: Advances and problems
• Energy scaling law for nanostructured materials
• Casimir effects in systems containing 2D layers, like graphene and 2D electron gases
• Quantum field theoretical description of the Casimir effect between two real graphene sheets and thermodynamics
• Polarization operator in the 2+1 dimensional quantum electrodynamics with a nonzero fermion density in a constant uniform magnetic field
• Van der Waals forces and electron-electron interactions in two strained graphene layers
• Dispersion interaction between crossed conducting wires
• Enhanced dispersion interaction between quasi-one dimensional conducting collinear structures
• Graphene through the looking glass of QFT
• Collective charge fluctuations and Casimir interactions for quasi one-dimensional metals
• The Casimir effect for a stack of conductive planes
• Casimir energy for surfaces with constant conductivity
• Graphene transparency in weak magnetic fields
• Quantum field theory of the Casimir force for graphene
• Quantum Sticking of Atoms on Membranes
• Dispersion coefficients for the interactions of the alkali and alkaline-earth ions and inert gas atoms with a graphene layer
• Layer Response Theory: Energetics of layered materials from semi-analytic high-level theory
• Assessment of approaches for dispersive forces employing graphone as a case study
• The Casimir effect in graphene systems: Experiment and theory
• Theory of Phonon-Assisted Adsorption in Graphene: Many-Body Infrared Dynamics
• Efficient, long-range correlation from occupied wavefunctions only
• A new framework for frequency-dependent polarizable force fields
• Dispersive interactions between standard and Dirac materials and the role of dimensionality
• Ground-state properties of electron-electron biwire systems
• Casimir-Polder size consistency -- a constraint violated by some dispersion theories
• Charge Induced Fluctuation Forces in Graphitic Nanostructures
• Negative static permittivity and violation of Kramers-Kronig relations in quasi-two-dimensional crystals
• Stability of Suspended Graphene under Casimir Force
• On the convergence of the polarization tensor in space-time of three dimensions
• Superfluidity meets the solid-state: frictionless mass-transport through a (5,5) carbon-nanotube
• The Casimir Force between Two Graphene Sheets: 2D Fresnel Reflection Coefficients, Contributions of Different Polarizations, and the Role of Evanescent Waves
• Finite-size nanowire at a surface: unconventional power laws of the van der Waals interaction
• Van der Waals interaction between an atom with spherical plasma shell
• Spooky correlations and unusual van der Waals forces between gapless and near-gapless molecules
• Theory of the Casimir effect for graphene at finite temperature
• Casimir effects in graphene systems: unexpected power laws
• Multi-center decomposition of molecular densities: A numerical perspective
• Sign inversion in the lateral van der Waals force between an anisotropic particle and a plane with a hemispherical protuberance: an exact calculation
• Dispersion forces between weakly disordered Van der Waals crystals
• Reflectance of graphene-coated dielectric plates in the framework of Dirac model: Joint action of energy gap and chemical potential
• Ballistic atomic transport in narrow carbon nanotubes
• Dispersion Interaction of Atoms with Single-Walled Carbon Nanotubes described by the Dirac Model
• Excitonic correlations in the system of gated metallic wires with the applied Zeeman magnetic field
• The Casimir-Polder interaction an atom with spherical shell
• A comment on "Interlayer interactions in graphites" [Chen et al., Sci. Rep. 3, 3046 (2013)]
• Casimir energy for $N$ constant conductivity $\delta$-plates with a neural network perception