Abstract Using the strong coupling diagram technique, we investigate the extended Hubbard model on a two-dimensional square lattice. This approach allows for charge and spin fluctuations and a short-range antiferromagnetic order at nonzero temperatures. The model features the first-order phase transition to states with alternating site occupations (SAO) at the intersite repulsion v = v c . In this work, we show that doping decreases v c . For a nonzero next-nearest neighbor hopping t ′ , less mobile carriers produce a stronger fall in v c . For half-filling and t ′ = 0 , we consider phase diagrams for a fixed temperature T, on-site U, and intersite repulsions. The diagrams contain regions of SAO, Mott insulator, and several metallic states distinguished by their densities of states. Two of them are characterized by a dip and a peak at the Fermi level. The dip originates from the Slater mechanism for itinerant electrons, while the peak to bound states of electrons with localized magnetic moments. The existence of these two metallic regions in the phase diagram is a manifestation of the Pomeranchuk effect. The boundary between these regions reveals itself as a kink in the curve v c (T) and as a maximum in the T dependence of the double occupancy D. Our calculated D for different values of v, U, and T are in semiquantitative agreement with Monte Carlo results.
The influence of spin and charge fluctuations on spectra of the two-dimensional fermionic Hubbard model is considered using the strong coupling diagram technique. Infinite sequences of diagrams containing ladder inserts, which describe the interaction of electrons with these fluctuations, are summed, and obtained equations are self-consistently solved for the ranges of Hubbard repulsions [Formula: see text], temperatures [Formula: see text] and electron concentrations [Formula: see text] with t the intersite hopping constant. For all considered U the system exhibits a transition to the long-range antiferromagnetic order at [Formula: see text]. At the same time no indication of charge ordering is observed. Obtained solutions agree satisfactorily with results of other approaches and obey moments sum rules. In the considered region of the U-T plane, the curve separating metallic solutions passes from [Formula: see text] at the highest temperatures to U = 2t at [Formula: see text] for half-filling. If only short-range fluctuations are allowed for the remaining part of this region is occupied by insulating solutions. Taking into account long-range fluctuations leads to strengthening of maxima tails, which transform a part of insulating solutions into bad-metal states. For low T, obtained results allow us to trace the gradual transition from the regime of strong correlations with the pronounced four-band structure and well-defined Mott gap for [Formula: see text] to the Slater regime of weak correlations with the spectral intensity having a dip along the boundary of the magnetic Brillouin zone due to an antiferromagnetic ordering for [Formula: see text]. For [Formula: see text] and [Formula: see text] doping leads to the occurrence of a pseudogap near the Fermi level, which is a consequence of the splitting out of a narrow band from a Hubbard subband. Obtained spectra feature waterfalls and Fermi arcs, which are similar to those observed in hole-doped cuprates.
Abstract We present a T = 0 K renormalization group (RG) phase diagram for the electronic Hubbard model in two dimensions on the square lattice at half filling. The RG procedure treats quantum fluctuations in the single particle occupation number nonperturbatively via the unitarily decoupling of one electronic state at every RG step. The resulting phase diagram thus possesses the quantum fluctuation energy scale (ω) as one of its axes. A relation is derived between ω and the effective temperature scale upto which gapless, as well as emergent gapped phases can be obtained. We find that the normal and insulating phases of the half-filled Hubbard model correspond, for any on-site repulsion, to a marginal Fermi liquid normal phase and a topologically-ordered gapped Mott insulating liquid respectively. The marginal Fermi liquid is found to arise from singular forward scattering in directions normal to the nested Fermi surface, while singular backscattering events lead to Mott liquid state. The transition between these two phases involves passage through a pseudogapped phase bookended by Fermi surface topology-changing Lifshitz transitions. The pseudogap phase is observed to arise from the electronic differentiation encoded within the nested Fermi surface, and involves the gradual gapping of the Fermi surface from antinodes to nodes via charge and spin excitations that are mutually entangled. We obtain effective Hamiltonians for various phases, as well as wavefunctions for the low-energy many-body eigenstates of the Mott liquid. Benchmarking of the ground-state energy per particle and the double-occupancy fraction for the Mott liquid against existing numerical results yields excellent agreement. Presence of a Néel ordering symmetry-breaking perturbation in the RG leads to an antiferromagnetic spin-ordered charge insulating Mott state. Our results thus offer novel insights on a variety of aspects of the Mott–Hubbard problem, and can be extended to the doped system.
The influence of long-range spin and charge fluctuations on spectra of the two-dimensional (2D) fermionic Hubbard model is considered using the strong coupling diagram technique (SCDT). Infinite sequences of diagrams containing ladder inserts, which describe the interaction of electrons with these fluctuations, are summed, and obtained equations are self-consistently solved for the range of Hubbard repulsions 4t [Formula: see text]U [Formula: see text] 8t and temperatures 0.3t [Formula: see text] T [Formula: see text] t with t the intersite hopping constant. It was found that a metal–insulator transition curve goes from larger U and T to smaller values of these parameters. The temperature decrease causes the transition to the long-range antiferromagnetic order. It is responsible for the splitting out of a narrow band from a Hubbard subband with doping for U = 8t and low T. This segregated band is located near the Fermi level and forms a pseudogap here.
The Hubbard-Holstein model is one of the simplest to incorporate both electron-electron and electron-phonon interactions. In one dimension at half filling, the Holstein electron-phonon coupling promotes on-site pairs of electrons and a Peierls charge-density wave, while the Hubbard on-site Coulomb repulsion
U promotes antiferromagnetic correlations and a Mott insulating state. Recent numerical studies have found a possible third intermediate phase between Peierls and Mott states. From direct calculations of charge and spin susceptibilities, we show that (i) as the electron-phonon coupling is increased, first a spin gap opens, followed by the Peierls transition. Between these two transitions, the metallic intermediate phase has a spin gap, no charge gap, and properties similar to the negative-
U Hubbard model. (ii) The transitions between Mott/intermediate and intermediate/Peierls states are of the Kosterlitz-Thouless form. (iii) For larger
U, the two transitions merge at a tricritical point into a single first-order Mott/Peierls transition. In addition, we show that an intermediate phase also occurs in the quarter-filled model.
The three-dimensional repulsive Hubbard model is investigated using the strong-coupling diagram technique. For half-filling, the boundary between paramagnetic and antiferromagnetic states is determined for the range of the Hubbard repulsion
4t≤U≤12t, where
t is the hopping integral between neighboring sites. Along this boundary, the density of states is calculated, and it demonstrates the Mott transition at
U≈9t. For
U≥6t and half-filling, the density of states has the shape inherent in the strong electron repulsion, while for
U=4t, its shape points to weak coupling. The dependence of the Néel temperature
TN on the electron concentration
nˉ is investigated for the cases
U=4t and
12t. In the former case,
TN decreases monotonously with
nˉ, while in the latter case, there is a plateau in the dependence near
nˉ=0.87. The plateau is connected to a reconstruction of the density of states caused by an effective weakening of electron coupling due to electron depopulation. For
U=12t and half-filling, the magnetic critical exponent
γ≈1.4, which is close to the value in the Heisenberg model. Some features resembling the first-order phase transition, revealing themselves in a finite crystal, are discussed.