When strong correlations become weak: Consistent merging of and DMFT
arXiv:1604.02023 · doi:10.1103/PhysRevB.94.201106
Abstract
The cubic perovskite SrVO is generally considered to be a prototype strongly correlated metal with a characteristic three-peak structure of the -electron spectral function, featuring a renormalized quasiparticle band in between pronounced Hubbard sidebands. Here we show that this interpretation, which has been supported by numerous "ab-initio" simulations, has to be reconsidered. Using a fully self-consistent +extended dynamical mean-field theory calculation we find that the screening from nonlocal Coulomb interactions substantially reduces the effective local Coulomb repulsion, and at the same time leads to strong plasmonic effects. The resulting effective local interactions are too weak to produce pronounced Hubbard bands in the local spectral function, while prominent plasmon satellites appear at energies which agree with those of the experimentally observed sidebands. Our results demonstrate the important role of nonlocal interactions and dynamical screening in determining the effective interaction strength of correlated compounds.
5 pages, 4 figures. Supplementary material with 2 pages, 1 figure
References in corpus (13)
- Continuous-time Monte Carlo methods for quantum impurity models
- Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals
- Efficient implementation of the GW approximation within the all-electron FLAPW method
- Dynamical mean-field theory using Wannier functions: a flexible route to electronic structure calculations of strongly correlated materials
- Screening and Non-local Correlations in the Extended Hubbard Model from Self-Consistent Combined GW and Dynamical Mean Field Theory
- Self-consistency over the charge-density in dynamical mean-field theory: a linear muffin-tin implementation and some physical implications
- Maximally Localized Wannier Functions within the FLAPW formalism
- Momentum-resolved spectral functions of SrVO calculated by LDA+DMFT
- Combined GW and dynamical mean field theory: Dynamical screening effects in transition metal oxides
- Extended dynamical mean-field study of the Hubbard model with long range interactions
- Approaching finite-temperature phase diagrams of strongly correlated materials: a case study for V2O3
- Efficient implementation of the continuous-time hybridization expansion quantum impurity solver
- Metal-Insulator Transition and Lattice Instability of Paramagnetic V2O3
Cited by in corpus (74)
- Diagrammatic routes to nonlocal correlations beyond dynamical mean field theory
- Correlated electronic structure of LaNiO under pressure
- Ab initio dynamical vertex approximation
- Multitier self-consistent +EDMFT
- Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions
- Self-energy embedding theory (SEET) for periodic systems
- Consistent partial bosonization of the extended Hubbard model
- Normal state of NdSrNiO from self-consistent +EDMFT
- Efficient Formulation of Ab Initio Quantum Embedding in Periodic Systems: Dynamical Mean-Field Theory
- Ab Initio Full Cell GW+DMFT for Correlated Materials
- Merging GW with DMFT and non-local correlations beyond
- Influence of Fock exchange in combined many-body perturbation and dynamical mean field theory
- Low rank compression in the numerical solution of the nonequilibrium Dyson equation
- Impact of partially bosonized collective fluctuations on electronic degrees of freedom
- Ab-Initio self-energy embedding for the photoemission spectra of NiO and MnO
- Multi-band non-equilibrium GW+EDMFT formalism for correlated insulators
- Fully Self-Consistent Finite-Temperature in Gaussian Bloch Orbitals for Solids
- Nonequilibrium GW+EDMFT: Antiscreening and inverted populations from nonlocal correlations
- Dual Boson Diagrammatic Monte Carlo Approach Applied to the Extended Hubbard Model
- Mott versus hybridization gap in the low-temperature phase of -TaS
- Self-consistent ladder DA approach
- Renormalization of effective interactions in a negative charge-transfer insulator
- The dynamically screened ladder approximation: Simultaneous treatment of strong electronic correlations and dynamical screening out of equilibrium
- Dynamics of photo-doped charge transfer insulators
- First principles vs second principles: Role of charge self-consistency in strongly correlated systems
- Screening from states and antiferromagnetic correlations in perovskites: A +EDMFT investigation
- Testing self-energy embedding theory in combination with GW
- Dynamical configuration interaction: Quantum embedding that combines wave functions and Green's functions
- Low-energy effective Hamiltonians for correlated electron systems beyond density functional theory
- Electron correlations in cubic paramagnetic perovskite Sr(V,Mn)O -- Results from fully self-consistent self-energy embedding calculations
- Photo-induced nonequilibrium states in Mott insulators
- Site-Occupation Embedding Theory using Bethe Ansatz Local Density Approximations
- Householder transformed density matrix functional embedding theory
- Towards ab initio calculations with the dynamical vertex approximation
- Oxygen-vacancy driven electron localization and itinerancy in rutile-based TiO
- Dual fermion method as a prototype of generic reference-system approach for correlated fermions
- Diatomic molecule as a testbed for combining DMFT with electronic structure methods such as and DFT
- Extending Density Matrix Embedding: A Static Two-Particle Theory
- Collective magnetic fluctuations in Hubbard plaquettes captured by fluctuating local field method
- The AbinitioDA Project v1.0: Non-local correlations beyond and susceptibilities within dynamical mean-field theory
- Wavefunctions, electronic localization and bonding properties for correlated materials beyond the Kohn-Sham formalism
- Local and nonlocal electronic correlations at the metal-insulator transition in the Hubbard model in two dimensions
- Extended regime of coexisting metallic and insulating phases in a two-orbital electronic system
- Photo-induced charge dynamics in 1-TaS
- Electronic structure of LaNiO and CaCuO from self consistent vertex corrected GW approach
- Diagrammatic Monte Carlo Method for Impurity Models with General Interactions and Hybridizations
- Nonlocal Coulomb interaction and spin-freezing crossover as a route to valence-skipping charge order
- Improved effective vertices in the multi-orbital Two-Particle Self-Consistent method from Dynamical Mean-Field Theory
- Electronic structure of van der Waals ferromagnet CrI from self consistent vertex corrected GW approaches
- Quantum Confinement Induced Metal-Insulator Transition in Strongly Correlated Quantum Wells of SrVO Superlattice
- Causal versus local +EDMFT scheme and application to the triangular-lattice extended Hubbard model
- Exploring Coupled Cluster Green's function as a method for treating system and environment in Green's function embedding methods
- Fully {\it ab-initio} electronic structure of CaRuO
- Multiple impurities and combined local density approximations in Site-Occupation Embedding Theory
- Electronic correlations and long-range magnetic ordering in NiO tuned by pressure
- dynamical mean-field theory with natural orbitals renormalization group impurity solver: Formalism and applications
- Non-local Correlation Effects in Fermionic Many-Body Systems: Overcoming the Non-causality Problem
- +EDMFT investigation of PrSrNiO under pressure
- Spatial non-locality of electronic correlations beyond GW approximation
- Real-frequency TPSC+DMFT investigation of the square-lattice Hubbard model
- Electron-magnon dynamics triggered by an ultrashort laser pulse: A real-time Dual study
- Dynamical screening in SrVO: Inelastic x-ray scattering experiments and ab initio calculations
- Site-occupation--Green's function embedding theory: A density-functional approach to dynamical impurity solvers
- Self-energy self-consistent density functional theory plus dynamical mean field theory
- Measuring the ultrafast screening of in photo-excited charge-transfer insulators with time-resolved X-ray absorption spectroscopy
- Static treatment of dynamic interactions in the single-orbital Anderson impurity model
- Internal consistency of multi-tier +EDMFT
- Evidence of electron correlation and weak bulk plasmon in SrMoO
- Novel approaches to spectral properties of correlated electron materials: From generalized Kohn-Sham theory to screened exchange dynamical mean field theory
- Dual-space cluster-diagrammatic approach to nonlocal electronic correlations
- Quantitative Description of Strongly Correlated Materials by Combining Downfolding Techniques and Tensor Networks
- Self-consistent +Extended Dynamical Mean Field Theory for semiconductors and insulators
- Superconductivity in black phosphorus and the role of dynamical screening
- Multi-band D-TRILEX approach to materials with strong electronic correlations