Accuracy of ghost-rotationally-invariant slave-boson theory for multiorbital Hubbard models and realistic materials

Abstract

We assess the accuracy of the ghost-rotationally-invariant slave-boson (g-RISB) theory in multiorbital systems by applying it to both the three-orbital degenerate Hubbard model and a realistic Sr2RuO4 model extracted from first principle simulations, and comparing the results to those obtained using the dynamical mean-field theory (DMFT). Our findings indicate that g-RISB's accuracy can be systematically improved toward the exact DMFT limit in infinite dimensional multiorbital models by increasing the number of ghost orbitals. This allows for a more precise description of aspects of Hund metal physics and Mott physics compared to the original RISB approach. We also demonstrate that g-RISB reliably captures the quasiparticle weights, Fermi surface, and low-energy spectral function for the realistic Sr2RuO4 model compared to DMFT. Moreover, we showcase the potential of using the density matrix renormalization group method as an impurity solver within the g-RISB framework to study systems with a larger number of ghost orbitals. These results show the potential of g-RISB as a reliable tool for simulating correlated materials. The connection between the g-RISB and DMFT self-energy is also discussed.

References in corpus (26)

• Continuous-time Monte Carlo methods for quantum impurity models
• Strong electronic correlations from Hund's coupling
• Coherence-incoherence crossover in the normal state of iron-oxypnictides and importance of the Hund's rule coupling
• The coherence-incoherence crossover and the mass-renormalization puzzles in Sr2RuO4
• Orbital selective Mott transition in multi-band systems: slave-spin representation and dynamical mean-field theory
• Rotationally-invariant slave-boson formalism and momentum dependence of the quasiparticle weight
• Block2: a comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond
• U(1) Slave-spin theory and its application to Mott transition in a multi-orbital model for iron pnictides
• Fermionic Wave Functions from Neural-Network Constrained Hidden States
• Low communication high performance ab initio density matrix renormalization group algorithms
• Equivalence of Gutzwiller and slave-boson mean-field theories for multi-band Hubbard models
• Gutzwiller description of non-magnetic Mott insulators: a dimer lattice model
• Exact Diagonalization Dynamical Mean Field Theory for Multi-Band Materials: Effect of Coulomb correlations on the Fermi surface of Na_0.3CoO_2
• Dynamical Mean Field Theory, Density-Matrix Embedding Theory and Rotationally Invariant Slave Bosons: a Unified Perspective
• EDIpack: A parallel exact diagonalization package for quantum impurity problems
• Fully Algebraic and Self-consistent Effective Dynamics in a Static Quantum Embedding
• Rotationally-invariant slave-bosons for Strongly Correlated Superconductors
• Quantum-embedding description of the Anderson lattice model with the ghost Gutzwiller Approximation
• Accuracy of ghost-rotationally-invariant slave-boson and dynamical mean field theory as a function of the impurity-model bath size
• Tree tensor-network real-time multiorbital impurity solver: Spin-orbit coupling and correlation functions in Sr${}_2$RuO${}_4$
• Mott Quantum Critical Points at finite doping
• Efficient computational screening of strongly correlated materials -- Multi-orbital phenomenology within the ghost Gutzwiller approximation
• Operatorial formulation of the ghost rotationally-invariant slave-Boson theory
• Derivation of the Ghost Gutzwiller Approximation from Quantum Embedding principles: the Ghost Density Matrix Embedding Theory
• Time-dependent ghost-Gutzwiller non-equilibrium dynamics
• Slave-spin mean field for broken-symmetry states: Néel antiferromagnetism and its phase separation in multi-orbital Hubbard models

Cited by in corpus (8)

• Altermagnetism from interaction-driven itinerant magnetism
• Quantum embedding for molecules using auxiliary particles -- The ghost Gutzwiller Ansatz
• Charge self-consistent density functional theory plus ghost rotationally-invariant slave-boson theory for correlated materials
• Revealing spinons by proximity effect
• Active Learning approach to simulations of Strongly Correlated Matter with the Ghost Gutzwiller Approximation
• Band structure picture for topology in strongly correlated systems with the ghost Gutzwiller ansatz
• Ghost Embedding Bridging Chemistry and One-Body Theories
• Linear Foundation Model for Quantum Embedding: Data-Driven Compression of the Ghost Gutzwiller Variational Space