Extended regime of coexisting metallic and insulating phases in a two-orbital electronic system

Abstract

We investigate the metal-to-insulator phase transition driven by the density-density electronic interaction in the quarter-filled model on a cubic lattice with two orbitals split by a crystal field. We show that a systematic consideration of the non-local collective electronic fluctuations strongly affects the picture of the phase transition provided by the dynamical mean field theory. Our calculations reveal the appearance of metallic and Mott insulating states characterised by the same density but different values of the chemical potential, which is missing in the local approximation to electronic correlations. We find that the region of concomitant metastability of these two solutions is remarkably broad in terms of the interaction strength. It starts at a critical value of the interaction slightly larger than the bandwidth and extends to more than twice the bandwidth, where the two solutions merge into a Mott insulating phase. Our results illustrate that non-local correlations can have crucial consequences on the electronic properties in the strongly correlated regime of the simplest multi-orbital systems.

References in corpus (96)

• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• The GW method
• Strong electronic correlations from Hund's coupling
• Diagrammatic routes to nonlocal correlations beyond dynamical mean field theory
• Dynamical vertex approximation - a step beyond dynamical mean field theory
• First principles approach to the electronic structure of strongly correlated systems: combining GW and DMFT
• Phase-transition driven memristive system
• Zero temperature metal-insulator transition in the infinite-dimensional Hubbard model
• Cluster Dynamical Mean Field Theory of the Mott Transition
• Orbital-Selective Mott transition out of band degeneracy lifting
• Strongly Correlated Superconductivity
• High-spin to low-spin and orbital polarization transitions in multiorbital Mott systems
• Modeling the Unconventional Superconducting Properties of Expanded A${}_3$C${}_{60}$ Fullerides
• Strong-coupling theory of superconductivity in a degenerate Hubbard model
• Fate of the false Mott-Hubbard transition in two dimensions
• Tracking the Footprints of Spin Fluctuations: A MultiMethod, MultiMessenger Study of the Two-Dimensional Hubbard Model
• w2dynamics: Local one- and two-particle quantities from dynamical mean field theory
• Mott physics and spin fluctuations: a unified framework
• Enhanced Crystal Field Splitting and Orbital Selective Coherence by Strong Correlations in V_2O_3
• Dual fermion approach to the two-dimensional Hubbard model: Antiferromagnetic fluctuations and Fermi arcs
• Integer filling metal insulator transitions in the degenerate Hubbard model
• Comparing pertinent effects of antiferromagnetic fluctuations in the two and three dimensional Hubbard model
• Dual boson approach to collective excitations in correlated fermionic systems
• Electronic Structure of Paramagnetic V_2O_3: Strongly Correlated Metallic and Mott Insulating Phase
• Efficient perturbation theory for quantum lattice models
• Pairing symmetry in a two-orbital Hubbard model on a square lattice
• Beyond extended dynamical mean-field theory: Dual boson approach to the two-dimensional extended Hubbard model
• Quantum impurity solvers using a slave rotor representation
• When strong correlations become weak: Consistent merging of $GW$ and DMFT
• Combined GW and dynamical mean field theory: Dynamical screening effects in transition metal oxides
• Metal-Insulator phase diagram and orbital selectivity in 3-orbital models with rotationally invariant Hund coupling
• Electronics with correlated oxides: SrVO${}_3$/SrTiO${}_3$ as a Mott transistor
• Many-body effects in iron pnictides and chalcogenides -- non-local vs dynamic origin of effective masses
• Ab initio dynamical vertex approximation
• Multitier self-consistent $GW$+EDMFT
• Ab initio derivation of electronic low-energy models for C60 and aromatic compounds
• Asymmetric band widening by screened exchange competing with local correlations in SrVO3: new surprises on an old compound from combined GW and dynamical mean field theory GW+DMFT
• The magnetic excitation spectra in BaFe${}_2$As${}_2$: a two-particle approach within DFT+DMFT
• Mott physics and spin fluctuations: a functional viewpoint
• One-particle irreducible functional approach - a new route to diagrammatic extensions of DMFT
• Orbital-selective Mott-Hubbard transition in the two-band Hubbard model
• Mott transitions in correlated electron systems with orbital degrees of freedom
• Dramatic Switching of Magnetic Exchange in a Classic Transition Metal Oxide: Evidence for Orbital Ordering
• Comparing $GW$+DMFT and LDA+DMFT for the testbed material SrVO${}_3$
• Consistent partial bosonization of the extended Hubbard model
• Electronic orders in multi-orbital Hubbard models with lifted orbital degeneracy
• Dynamical correlations and screened exchange on the experimental bench: spectral properties of the cobalt pnictide BaCo2As2
• Self-consistent Dual Boson approach to single-particle and collective excitations in correlated systems
• Effect of Crystal-Field Splitting and Inter-Band Hybridization on the Metal-Insulator Transitions of Strongly Correlated Systems
• Magnetic response of Sr${}_2$RuO${}_4$: quasi-local spin fluctuations due to Hund's coupling
• Self-energies in itinerant magnets: A focus on Fe and Ni
• The Fierz convergence criterion: a controlled approach to strongly-interacting systems with small embedded clusters
• Boson-Exchange Parquet Solver for dual fermions
• Coexisting charge density wave and ferromagnetic instabilities in monolayer InSe
• Quantum Monte Carlo Study of Pairing Symmetry and Correlation in Iron-based Superconductors
• Impact of partially bosonized collective fluctuations on electronic degrees of freedom
• Orbital differentiation in Hund metals
• Hund's induced Fermi-liquid instabilities and enhanced quasiparticle interactions
• Spontaneous orbital-selective Mott transitions and the Jahn-Teller metal of A${}_3$C${}_{60}$
• Phase separation in the particle-hole asymmetric Hubbard model
• Quantum magnetic properties of the SU(2N) Hubbard model in the square lattice: a quantum Monte Carlo study
• Effective Heisenberg model and exchange interaction for strongly correlated systems
• Genesis of coexisting itinerant and localized electrons in Iron Pnictides
• From local to non-local correlations: the Dual Boson perspective
• Dual Boson Diagrammatic Monte Carlo Approach Applied to the Extended Hubbard Model
• Pressure-induced magnetic transition and volume collapse in FeAs superconductors: An orbital-selective Mott scenario
• Self-consistent ladder D$\Gamma$A approach
• Tiling with triangles: parquet and $GW\gamma$ methods unified
• Effective crystal field and Fermi surface topology: a comparison of d- and dp-orbital models
• Spin dynamics of itinerant electrons: local magnetic moment formation and Berry phase
• Nonlocal correlations induced by Hund's coupling: a cluster DMFT study
• Multi-orbital cluster dynamical mean-field theory with an improved continuous-time quantum Monte Carlo algorithm
• Sensitivity of the Mott Transition to Non-cubic Splitting of the Orbital Degeneracy: Application to NH3 K3C60
• Competing orders in Na${}_x$CoO${}_2$ from strong correlations on a two-particle level
• Dual Boson approach with instantaneous interaction
• Complete phase diagram for three-band Hubbard model with orbital degeneracy lifted by crystal field splitting
• Long-range orders, spin- and orbital-freezing in the two-band Hubbard model
• Interorbital charge transfers and Fermi-surface deformations in strongly correlated metals: models, BaVS${}_3$ and Na${}_x$CoO${}_2$
• Effective Ising model for correlated systems with charge ordering
• Towards ab initio calculations with the dynamical vertex approximation
• The Dynamical Mean Field Theory phase space extension and critical properties of the finite temperature Mott transition
• Quantum spin fluctuations and evolution of electronic structure in cuprates
• Multi-orbital nature of the spin fluctuations in Sr${}_2$RuO${}_4$
• Dual fermion method as a prototype of generic reference-system approach for correlated fermions
• Mott Quantum Critical Points at finite doping
• Auxiliary Field Quantum Monte Carlo for Multiband Hubbard Models: Controlling the Sign and Phase Problems to Capture Hund's Physics
• Determinant Quantum Monte Carlo Study of the Orbitally Selective Mott Transition
• Enhancement of charge instabilities in Hund's metals by the breaking of rotational symmetry
• Fermi surface expansion above critical temperature in a Hund ferromagnet
• Orbital selective phase transition induced by different magnetic states: A dynamical cluster approximation study
• Nonlocal Coulomb interaction and spin-freezing crossover as a route to valence-skipping charge order
• Metal-insulator transition in copper oxides induced by apex displacements
• Nature of the Doping-Driven Metal-Insulator Transition in Correlated Electron Systems with strong Hund's Exchange Coupling
• Hubbard-Kanamori model: spectral functions, negative electron compressibility, and susceptibilities
• Sign-Free Determinant Quantum Monte Carlo Study of Excitonic Density Orders in a Two-Orbital Hubbard-Kanamori Model
• Modeling unconventional superconductivity at the crossover between strong and weak electronic interactions

Cited by in corpus (8)

• Local and nonlocal electronic correlations at the metal-insulator transition in the Hubbard model in two dimensions
• Doping-dependent charge- and spin-density wave orderings in a monolayer of Pb adatoms on Si(111)
• Charge Density Wave Ordering in NdNiO${}_2$: Effects of Multiorbital Nonlocal Correlations
• Can Orbital-Selective Néel Transitions Survive Strong Nonlocal Electronic Correlations?
• Fingerprints of a charge ice state in the doped Mott insulator Nb${}_3$Cl${}_8$
• Electron-magnon dynamics triggered by an ultrashort laser pulse: A real-time Dual $GW$ study
• Non-Fermi-liquid behaviour and Fermi-surface expansion induced by van Hove-driven ferromagnetic fluctuations: the D-TRILEX analysis
• Dual-space cluster-diagrammatic approach to nonlocal electronic correlations