Antiferromagnetism and the gap of a Mott insulator: Results from analytic continuation of the self-energy

Abstract

Direct analytic continuation of the self energy is used to determine the effect of antiferromagnetic ordering on the spectral function and optical conductivity of a Mott insulator. Comparison of several methods shows that the most robust estimation of the gap value is obtained by use of the real part of the continued self energy in the quasiparticle equation within the single-site dynamical mean field theory of the two dimensional square lattice Hubbard model, where for U slightly greater than the Mott critical value, antiferromagnetism increases the gap by about 80%.

arXiv comment8 pages, 9 figures. An error in normalization of optical conductivity (Fig. 9) corrected. to appear in Phys. Rev. B

References in corpus (13)

• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• Quantum Cluster Theories
• A continuous-time solver for quantum impurity models
• LDA energy bands, low-energy Hamiltonians, t', t'', t_{perp}(k), and J_{perp}
• The ALPS project release 1.3: open source software for strongly correlated systems
• Hybridization expansion impurity solver: General formulation and application to Kondo lattice and two-orbital models
• Solving Dynamical Mean-Field Theory at very low temperature using Lanczos Exact Diagonalization
• Optical conductivity and the correlation strength of high temperature copper-oxide superconductors
• Static vs. dynamical mean field theory of Mott antiferromagnets
• Interpolating self-energy of the infinite-dimensional Hubbard model: Modifying the iterative perturbation theory
• On the optical conductivity of Electron-Doped Cuprates I: Mott Physics
• Doping-driven Mott transition in the one-band Hubbard model
• Optical Weights and Waterfalls in Doped Charge Transfer Insulators: an LDA+DMFTStudy of LSCO

Cited by in corpus (78)

• Continuous-time Monte Carlo methods for quantum impurity models
• Antiferromagnetism in RuO${}_2$ as $d$-wave Pomeranchuk instability
• Momentum space anisotropy and pseudogaps: a comparative cluster dynamical mean field analysis of the doping-driven metal-insulator transition in the two dimensional Hubbard model
• X-ray Magnetic Circular Dichroism in Altermagnetic $\alpha$-MnTe
• Nevanlinna Analytical Continuation
• Scaling of the transition temperature of hole-doped cuprate superconductors with the charge-transfer energy
• Apical oxygens and correlation strength in electron and hole doped copper oxides
• Momentum-sector-selective metal-insulator transition in the eight-site dynamical mean-field approximation to the Hubbard model in two dimensions
• Maximum entropy formalism for the analytic continuation of matrix-valued Green's functions
• Spin state transition and covalent bonding in LaCoO3
• Temperature and bath size in exact diagonalization dynamical mean field theory
• Electronic correlations, magnetism and Hund's rule coupling in the ruthenium perovskites SrRuO${}_3$ and CaRuO${}_3$
• Implementation of the Maximum Entropy Method for Analytic Continuation
• Covalency, double-counting and the metal-insulator phase diagram in transition metal oxides
• Bold Line Diagrammatic Monte Carlo Method: General formulation and application to expansion around the Non-Crossing Approximation
• Dynamical Mean-Field Theory for Quantum Chemistry
• Analytic continuation via domain-knowledge free machine learning
• Signatures of the Mott transition in the antiferromagnetic state of the two-dimensional Hubbard model
• Efficient Formulation of Ab Initio Quantum Embedding in Periodic Systems: Dynamical Mean-Field Theory
• Analytical Continuation of Matrix-Valued Functions: Carathéodory Formalism
• Analytic continuation by averaging Padé approximants
• Physics of the Pseudogap in 8-site Cluster Dynamical Mean Field Theory: photoemission, Raman scattering, in-plane and c-axis conductivity
• Spin state of negative charge-transfer material SrCoO3
• Spectral functions of strongly correlated extended systems via an exact quantum embedding
• LDA+DMFT approach to core-level spectroscopy: application to 3d transition metal compounds
• Correlation Strength, Gaps and Particle-Hole Asymmetry in High-Tc Cuprates: a Dynamical Mean Field Study of the Three-Band Copper-Oxide Model
• Unconventional superconductivity on the triangular lattice Hubbard model
• LDA+DMFT approach to resonant inelastic x-ray scattering in correlated materials
• Importance of d-p Coulomb interaction for high T${}_C$ cuprates and other oxides
• Lifshitz Transition in the Two Dimensional Hubbard Model
• Ab-Initio self-energy embedding for the photoemission spectra of NiO and MnO
• Optical conductivity in cluster dynamical mean field theory: formalism and application to high temperature superconductors
• Spatial Correlations and the Insulating Phase of the High-$T_c$ Cuprates: Insights from a Configuration-Interaction-Based Solver for Dynamical Mean Field Theory
• Charge-transfer effect in hard x-ray 1$s$ and 2$p$ photoemission spectra: LDA+DMFT and cluster-model analysis
• Bad-Metallic Behavior of Doped Mott Insulators
• Spectral properties of the three-dimensional Hubbard model
• Quasiparticle Properties of the Superconducting State of the Two Dimensional Hubbard Model
• The 3-Band Hubbard-Model versus the 1-Band Model for the high-Tc Cuprates: Pairing Dynamics, Superconductivity and the Ground-State Phase Diagram
• Interaction-Induced Topological and Magnetic Phases in the Hofstadter-Hubbard Model
• Evolution of the Superconductivity Dome in the two dimensional Hubbard Model
• Interacting Hofstadter Interface
• Dynamically generated edge states in topological Kondo insulators
• X-ray Magnetic Circular Dichroism in RuO${}_2$
• Dynamical cluster approximation within an augmented plane-wave framework: Spectral properties of SrVO${}_3$
• Ferromagnetism and correlation strength in cubic barium ruthenate in comparison to strontium and calcium ruthenate: a dynamical mean field study
• Role of the van Hove Singularity in the Quantum Criticality of the Hubbard Model
• Maximum Quantum Entropy Method
• Role of oxygen-oxygen hopping in the three-band copper-oxide model: quasiparticle weight, metal insulator and magnetic phase boundaries, gap values and optical conductivity
• Effect of propagator renormalization on the band gap of insulating solids
• DFT+DMFT study on soft moment magnetism and covalent bonding in SrRu${}_2$O${}_6$
• The Wannier Function Software Ecosystem for Materials Simulations
• Direct observation of the Mott gap in strontium iridate with a scanning tunneling microscope
• d_{3z^2-r^2} Orbital in high-Tc cuprates: Excitonic spectrum, metal-insulator phase diagram, optical conductivity and orbital character of doped holes
• Theory of oxygen K-edge x-ray absorption spectra of cuprates
• High-frequency asymptotic behavior of self-energies in quantum impurity models
• CaCu${}_3$Ru${}_4$O${}_{12}$: a high Kondo-temperature transition metal oxide
• Minimal Pole Representation and Controlled Analytic Continuation of Matsubara Response Functions
• Orbital selective phase transition induced by different magnetic states: A dynamical cluster approximation study
• Antiferromagnetic Chern insulator in centrosymmetric systems
• Double-Exchange Enhanced Magnetic Blue-Shift of Mott Gaps
• Improved Green's Function Measurement for Hybridization Expansion Quantum Monte Carlo
• Nevanlinna.jl: A Julia implementation of Nevanlinna analytic continuation
• Ferromagnetic response of a "high-temperature" quantum antiferromagnet
• The Hubbard model on the Bethe lattice via variational uniform tree states: metal-insulator transition and a Fermi liquid
• The Continuous-Pole-Expansion method to obtain spectra of electronic lattice models
• Simplified approach to the magnetic blue shift of Mott gaps
• Dynamic charge Kondo effect and a slave fermion approach to the Mott transition
• Spin and charge fluctuations in the two-band Hubbard model
• Antiferromagnetic Chern insulator with large charge gap in heavy transition-metal compounds
• Semiclassical approximation solved by Monte Carlo as an efficient impurity solver for dynamical mean field theory and its cluster extensions
• Modified Pade approach for analytic continuation: Application to the zero-gap Kondo lattice model
• Mechanism of intermetallic charge transfer and bond disproportionation in BiNiO${}_3$ and PbNiO${}_3$ revealed by hard x-ray photoemission spectroscopy
• Parameter-free analytic continuation for quantum many-body calculations
• Anisotropic two-orbital Hubbard model: single-site versus cluster dynamical mean-field theory
• Antiferromagnetic topological insulators in heavy-fermion systems
• Hidden covalent insulator and spin excitations in SrRu${}_2$O${}_6$
• Orbital Magnetic Field Driven Metal-Insulator Transition in Strongly Correlated Electron Systems
• Fingerprints of Mott and Slater gaps in the core-level photoemission spectra of antiferromagnetic iridates