Abstract:The Hund's coupling in multiorbital Hubbard systems induces spin freezing and associated Hund metal behavior. Using dynamical mean-field theory, we explore the effect of local moment formation, spin, and charge excitations on the entropy and specific heat of the three-orbital model. For fillings 2 n < 3 and low temperature, we demonstrate a substantial enhancement of the entropy in the spin-frozen metal phase to values comparable to the half-filled Mott insulator. We also discuss the appearance of entropy plat… Show more
“…The entropy per site S is calculated with the procedure detailed in Ref. [30], by first computing the total energy per site E tot of the system on a fine temperature grid and evaluating the specific heat C V (T ) = dE tot /dT . Using the exactly known infinite-temperature result [31]…”
An antiferromagnetic Hund coupling in multiorbital Hubbard systems induces orbital freezing and an associated superconducting instability, as well as unique composite orders in the case of an odd number of orbitals. While the rich phase diagram of the half-filled three-orbital model has recently been explored in detail, the properties of the doped system remain to be clarified. Here, we complement the previous studies by computing the entropy of the half-filled model, which exhibits an increase in the orbital-frozen region and a suppression in the composite ordered phase. The doping-dependent phase diagram shows that the composite ordered state can be stabilized in the doped Mott regime, if conventional electronic orders are suppressed by frustration. While antiferro-orbital order dominates the filling range 2 n 3 and ferro-orbital order dominates the strongly interacting region for 1 n < 2, we find superconductivity with a remarkably high T c around n = 1.5 (quarter filling). Also in the doped system, there is a close connection between the orbital-freezing crossover and superconductivity.
“…The entropy per site S is calculated with the procedure detailed in Ref. [30], by first computing the total energy per site E tot of the system on a fine temperature grid and evaluating the specific heat C V (T ) = dE tot /dT . Using the exactly known infinite-temperature result [31]…”
An antiferromagnetic Hund coupling in multiorbital Hubbard systems induces orbital freezing and an associated superconducting instability, as well as unique composite orders in the case of an odd number of orbitals. While the rich phase diagram of the half-filled three-orbital model has recently been explored in detail, the properties of the doped system remain to be clarified. Here, we complement the previous studies by computing the entropy of the half-filled model, which exhibits an increase in the orbital-frozen region and a suppression in the composite ordered phase. The doping-dependent phase diagram shows that the composite ordered state can be stabilized in the doped Mott regime, if conventional electronic orders are suppressed by frustration. While antiferro-orbital order dominates the filling range 2 n 3 and ferro-orbital order dominates the strongly interacting region for 1 n < 2, we find superconductivity with a remarkably high T c around n = 1.5 (quarter filling). Also in the doped system, there is a close connection between the orbital-freezing crossover and superconductivity.
“…5 in a J/U -T plane (where the logarithmic scale for the temperature T is used for graphical clarity). For a given value of J/U , the specific heat (regarded as a function of T ) features peaks where a certain class of excitations unfreezes [32,45]. Therefore, the evolution of the different "ridges" which we observe is directly connected with the evolution of the different bundles of energy levels in Fig.…”
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, where 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 retain important features of the multiorbital Hubbard model in a set-up which can be implemented with SU(N ) ultracold atoms. With simple analytical arguments, and by means of the exact numerical diagonalization of the Hamiltonians for a minimal three-site system, we identify a common scenario where the interaction-resistant metal emerges as a compromise between different terms, each leading to a different insulating state.
“…Very recently, a detailed study of the temperature dependence of the entropy and specific heat of a three-band Hubbard model has been performed [48]. This study is much more comprehensive than ours.…”
We study the interplay between Mott physics, driven by Coulomb repulsion U , and Hund physics, driven by Hund's coupling J, for a minimal model for Hund metals, the orbital-symmetric three-band Hubbard-Hund model (3HHM) for a lattice filling of 1/3. Hund-correlated metals are characterized by spin-orbital separation (SOS), a Hund's-rule-induced two-stage Kondo-type screening process, in which spin screening occurs at much lower energy scales than orbital screening. By contrast, in Mott-correlated metals, lying close to the phase boundary of a metal-insulator transition, the SOS window becomes negligibly small and the Hubbard bands are well separated. Using Dynamical Mean-Field Theory and the Numerical Renormalization Group as real-frequency impurity solver, we identify numerous fingerprints distinguishing Hundness from Mottness in the temperature dependence of various physical quantities. These include ARPES-type spectra, the local self-energy, static local orbital and spin susceptibilities, resistivity, thermopower, and lattice and impurity entropies. Our detailed description of the behavior of these quantities within the context of a simple model Hamiltonian will be helpful for distinguishing Hundness from Mottness in experimental and theoretical studies of real materials.
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