We analyze two different fermionic systems that defy Mott localization showing a metallic ground state at integer filling and very large Coulomb repulsion. The first is a multiorbital Hubbard model with a Hund's coupling (this physics has been widely studied, and the new metallic state is called a Hund's metal), and the second is a SU(3) Hubbard model with a patterned single-particle potential designed to display a similar interaction-resistant metal in a setup which can be implemented with $\mathrm{SU}(N)$ ultracold atoms. With simple analytical arguments and exact numerical diagonalization of the Hamiltonians for a minimal three-site system, we demonstrate that the interaction-resistant metal emerges in both cases as a compromise between two different insulating solutions which are stabilized by different terms of the models. This provides strong evidence that the Hund's metal is a specific realization of a more general phenomenon which can be realized in various strongly correlated systems.
We analyze two different fermionic systems that defy Mott localization showing a metallic ground state at integer filling and very large Coulomb repulsion. The first is a multiorbital Hubbard model with a Hund's coupling (this physics has been widely studied, and the new metallic state is called a Hund's metal), and the second is a SU(3) Hubbard model with a patterned single-particle potential designed to display a similar interaction-resistant metal in a setup which can be implemented with SU(N) ultracold atoms. With simple analytical arguments and exact numerical diagonalization of the Hamiltonians for a minimal three-site system, we demonstrate that the interaction-resistant metal emerges in both cases as a compromise between two different insulating solutions which are stabilized by different terms of the models. This provides strong evidence that the Hund's metal is a specific realization of a more general phenomenon which can be realized in various strongly correlated systems.
The physics of many interesting correlated materials can be captured by multiorbital Hubbard models, where conduction electrons feature an additional orbital degree of freedom. The multiorbital characteristic is not a mere complication, but it leads to an immensely richer landscape of physical regimes. One of the key features is the interplay between Hubbard repulsion and Hund’s exchange coupling, which has been shown to lead to orbital-selective correlations and to the existence of correlation-resilient metals (usually called Hund’s metals) defying Mott localization. Here, we show that experimentally available platforms of SU(N)-symmetric ultracold atoms can indeed mimic the rich physics disclosed by multiorbital materials, by exploiting the internal degrees of freedom of multicomponent atoms. We discuss in detail the SU(N) version of interaction-resilient Hund’s metal and some other interesting regimes.
We develop a self-consistent variant of the constrained path quantum Monte Carlo approach which ensures its independence of the trial wave function, and apply the method to compute ground-state correlations in the two-dimensional SU(3) Fermi-Hubbard Hamiltonian at 31 filling, modeling fermions with three possible spin flavors moving on a square lattice with an average of one particle per site. We provide clear evidence of a quantum critical point separating a nonmagnetic uniform metallic phase from a regime where long-range ``spin'' order is present. This discovery of multiple successive transitions to magnetic states with regular, long-range alternation of the different flavors, whose symmetry changes as the interaction strength increases, significantly extends previous work in the Heisenberg limit to itinerant fermions. In addition to the rich quantum magnetism, this important physical system allows one to study integer filling and the associated Mott transition disentangled from nesting, in contrast to the usual SU(2) model, while preserving the square-lattice geometry. Our results also provide a significant step towards the interpretation of present and future experiments on fermionic alkaline-earth atoms, and other realizations of SU(N) physics.
Abstract A large repulsion between particles in a quantum system can lead to their localization, an effect responsible for the Mott insulator phases in strongly correlated materials. In a system with multiple orbitals, an orbital-selective Mott insulator can form, where electrons in some orbitals are predicted to localize while others remain itinerant. Here we demonstrate a more general version of this phenomenon by observing flavour-selective localization in an atom-based quantum simulator. Our experiment realizes Fermi–Hubbard models with an SU(3) symmetry that can be broken using a tunable coupling between flavours. We observe an enhancement of the localization associated with a selective Mott transition and the emergence of flavour-dependent correlations. Our realization of flavour-selective Mott physics demonstrates the potential of cold atoms to simulate interacting multicomponent materials such as superconductors and topological insulators.
A broad class of correlated quantum materials features strong Hund’s coupling, yet cold-atom quantum simulators have so far focused primarily on single-orbital Fermi-Hubbard systems near a Mott insulator. Here, we show that repulsively interacting fermions loaded into the p bands of a hexagonal lattice offer a unique platform to study the interplay of “Hundness” and “Mottness.” Our theory predicts that the orbital degrees of freedom, despite geometric frustration, produce a rich phase diagram featuring a competing itinerant ferromagnetic (FM) metal and a spin-1 antiferromagnetic (AFM) insulator. While FM order is known to emerge at low fillings near the flat-band limit, we show that this itinerant ferromagnetism is remarkably robust, persisting to stronger interactions and higher fillings well beyond the flat-band regime. More importantly, we identify that near half filling, FM is stabilized by a different mechanism: the double exchange with spins aligning to avoid Hund-rule penalties at the expense of the kinetic energy of Dirac fermions. The competition between the kinetic and double-exchange energies leads to, within our approximations, a first-order transition between FM and AFM orders in the chemical potential-interaction strength plane. Our analysis suggests that p -orbital Fermi gases—as multiorbital systems with coexisting localized and itinerant spins—reveal a rich competition between correlated “Hund metals” and other unconventional states driven by quantum fluctuations.
The fermionic Hubbard model plays a fundamental role in the description of strongly correlated materials. We have realized this Hamiltonian in a repulsively interacting spin mixture of ultracold (40)K atoms in a three-dimensional (3D) optical lattice. Using in situ imaging and independent control of external confinement and lattice depth, we were able to directly measure the compressibility of the quantum gas in the trap. Together with a comparison to ab initio dynamical mean field theory calculations, we show how the system evolves for increasing confinement from a compressible dilute metal over a strongly interacting Fermi liquid into a band-insulating state. For strong interactions, we find evidence for an emergent incompressible Mott insulating phase. This demonstrates the potential to model interacting condensed-matter systems using ultracold fermionic atoms.
For a long time strong electronic correlations in metals have mainly been associated with Mottness, the proximity to a Mott metal-insulator transition (MIT), where large Coulomb interactions induce the localization of charges. However, triggered by the discovery of the iron-based superconductors about ten years ago, it was realized that multi-orbital materials with only moderate Coulomb but sizeable Hund’s rule interactions – so-called Hund metals – allow for a distinct screening mechanism towards strong correlations: Hundness. Here, Hund’s rule constrains the spin rather than the charge dynamics. This discovery led to a vividly debated fundamental issue in the field of strongly correlated condensed matter systems, which is the main topic of the present thesis: what is the origin of strong correlations in the normal phase of Hund metals, Mottness or Hundness? And what are their decisive fingerprints? The goal of this dissertation is twofold. First, we present and advance our method: the numerical renormalization group (NRG) as viable real-frequency multi-band impurity solver for dynamical mean-field theory (DMFT), a common approach to tackle strongly correlated systems. Second, we apply DMFT+NRG to shed light on the Hund-metal problem raised above. In the first part of this thesis we present our state-of-the-art NRG solver, which offers direct access to data with unprecedented real-frequency spectral resolution at arbitrarily low energies and temperatures in contrast to commonly used Quantum Monte Carlo solvers. It is based on matrix product states and exploits non-abelian symmetries to reduce numerical costs. In the case of orbital symmetry, this allows us to treat multi-band models with more than two bands, and thus to tackle the Hund-metal problem for the first time with NRG. For multi-band models without orbital symmetry, an “interleaved” scheme of NRG (iNRG) was recently developed, dramatically increasing the numerical efficiency. Remarkably, the accuracy of iNRG is comparable to standard NRG, as we reveal in a detailed study. This finding establishes iNRG as a promising DMFT solver for material-specific model simulations. In the second part of this thesis we study a minimal toy model for Hund metals with DMFT+NRG, the orbital-symmetric three-band Hubbard-Hund model (3HHM) close to a lattice filling of 1/3. Our major insight is “spin-orbital separation” (SOS), a Hund’s-ruleinduced two-stage Kondo-type screening process, in which orbital screening occurs at much higher energies than spin screening. In Hund metals, i.e. far from a MIT phase boundary, SOS thus causes large electron masses by strongly reducing the coherence scale below which a Fermi liquid is formed. Further, it opens up a broad incoherent and strongly particle-hole asymmetric intermediate energy regime that reaches up to bare excitation scales. This SOS regime shows fractional power-law behavior and is characterized by resilient “Hund quasiparticles” with itinerant orbital degrees of freedom coupled non-trivially to quasi-free large spins. At zero temperature, the local density of states exhibits a two-tier quasiparticle peak on top of a broad incoherent background. In contrast, in Mott-correlated metals, i.e. close to the MIT phase boundary, the SOS regime becomes negligibly small and the Hubbard bands are well separated. These findings lead to distinct signatures of Hundness and Mottness in the temperature dependence of ARPES spectra, static local susceptibilities, resistivity, thermopower and entropy, many of which were also found in realistic simulations of the archetypal Hund- and Mott-correlated materials, Sr2RuO4 and V2O3. In summary, we provide evidence that and elucidate how Hundness evokes strong correlation effects in Hund metals. This might help to better interpret experimental results and guide superconducting theories.