Bandwidth renormalization due to the intersite Coulomb interaction

Abstract

The theory of correlated electrons is currently moving beyond the paradigmatic Hubbard $U$, towards the investigation of intersite Coulomb interactions. Recent investigations have revealed that these interactions are relevant for the quantitative description of realistic materials. Physically, intersite interactions are responsible for two rather different effects: screening and bandwidth renormalization. We use a variational principle to disentangle the roles of these two processes and study how appropriate the recently proposed Fock treatment of intersite interactions is in correlated systems. The magnitude of this effect in graphene is calculated based on cRPA values of the intersite interaction. We also observe that the most interesting charge fluctuation phenomena actually occur at elevated temperatures, substantially higher than studied in previous investigations.

arXiv commentNew appendix on benzene

References in corpus (43)

• Magic-angle graphene superlattices: a new platform for unconventional superconductivity
• Correlated Insulator Behaviour at Half-Filling in Magic Angle Graphene Superlattices
• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• A Common Thread: the pairing interaction for the unconventional superconductors
• Quantum Cluster Theories
• Frequency-dependent local interactions and low-energy effective models from electronic structure calculations
• Diagrammatic routes to nonlocal correlations beyond dynamical mean field theory
• First principles approach to the electronic structure of strongly correlated systems: combining GW and DMFT
• Optimal Hubbard models for materials with nonlocal Coulomb interactions: graphene, silicene and benzene
• Kosterlitz-Thouless Transition and Short Range Spatial Correlations in an Extended Hubbard Model
• Monte-Carlo study of the semimetal-insulator phase transition in monolayer graphene with realistic inter-electron interaction potential
• Non Fermi Liquid Behaviour near a $T=0$ spin-glass transition
• Spatial Correlations in Dynamical Mean Field Theory
• Effective action approach to strongly correlated fermion systems
• Absence of a Slater Transition in The Two-Dimensional Hubbard Model
• Beyond extended dynamical mean-field theory: Dual boson approach to the two-dimensional extended Hubbard model
• Local Order and the gapped phase of the Hubbard model: a plaquette dynamical mean field investigation
• Dynamical vertex approximation in its parquet implementation: application to Hubbard nano-rings
• Low-energy models for correlated materials: bandwidth renormalization from Coulombic screening
• Equation of state of the two-dimensional Hubbard model
• Signatures of the Mott transition in the antiferromagnetic state of the two-dimensional Hubbard model
• Charge ordering and correlation effects in the extended Hubbard model
• Realization of a Strongly Interacting Fermi Gas of Dipolar Atoms
• Influence of Fock exchange in combined many-body perturbation and dynamical mean field theory
• Signature of antiferromagnetic long-range order in the optical spectrum of strongly correlated electron systems
• On the limitations of cRPA downfolding
• The Fierz convergence criterion: a controlled approach to strongly-interacting systems with small embedded clusters
• Dynamical vertex approximation for nanoscopic systems
• Nonequilibrium GW+EDMFT: Antiscreening and inverted populations from nonlocal correlations
• Comment on "Absence of a Slater Transition in the Two-Dimensional Hubbard Model"
• Dynamics of photo-doped charge transfer insulators
• Fermion-boson vertex within Dynamical Mean-Field Theory
• Charge ordering and non-local correlations in the doped extended Hubbard model
• Double occupancy in DMFT and the Dual Boson approach
• Density-matrix based determination of low-energy model Hamiltonians from ab initio wavefunctions
• Precursors of the insulating state in the square lattice Hubbard model
• Capturing non-local interaction effects in the Hubbard model: optimal mappings and limits of applicability
• Realistic theory of electronic correlations in nanoscopic systems
• First-order metal-insulator transitions in the extended Hubbard model due to self-consistent screening of the effective interaction
• Low-energy effective interactions beyond the constrained random-phase approximation by the functional renormalization group
• Measuring entropy and mutual information in the two-dimensional Hubbard model
• Manifestation of nonlocal electron-electron interaction in graphene
• Thermodynamics of the metal-insulator transition in the extended Hubbard model

Cited by in corpus (7)

• Thermodynamics of the metal-insulator transition in the extended Hubbard model from determinantal quantum Monte Carlo
• Exploring the role of nonlocal Coulomb interactions in perovskite transition metal oxides
• Downfolding approaches to electron-ion coupling: Constrained density-functional perturbation theory for molecules
• Controlling magnetic frustration in 1T-TaS${}_2$ via Coulomb engineered long-range interactions
• Effect of electronic correlation on topological end-states in finite-size graphene nanoribbons
• Static treatment of dynamic interactions in the single-orbital Anderson impurity model
• Comparing the effective enhancement of local and non-local spin-orbit couplings on honeycomb lattices due to strong electronic correlations