The equation for the electron Green's function of the fermionic Hubbard model, derived using the strong coupling diagram technique, is solved self-consistently for the near-neighbor form of the kinetic energy and for half-filling. In this case the Mott transition occurs at the Hubbard repulsion Uc ≈ 6.96t, where t is the hopping constant. The calculated spectral functions, density of states (DOS) and momentum distribution are compared with results of Monte Carlo simulations. A satisfactory agreement was found for U > Uc and for temperatures, at which magnetic ordering and spin correlations are suppressed. For U < Uc and lower temperatures the theory describes qualitatively correctly the positions and widths of spectral continua, variations of spectral shapes and occupation numbers with changing wave vector and repulsion. The locations of spectral maxima turn out to be close to the positions of δ-function peaks in the Hubbard-I approximation.
Abstract Equations for the electron Green's function of the two‐dimensional Hubbard model, derived using the strong coupling diagram technique, are self‐consistently solved for different electron concentrations n and tight‐binding dispersions. Comparison of spectral functions calculated for the ratio of Hubbard repulsion to the nearest neighbor hopping with Monte Carlo data shows not only qualitative, but in some cases quantitative agreement in position of maxima. General spectral shapes, their evolution with momentum and filling in the wide range are also similar. At half‐filling and for the next nearest neighbor hopping constant the Mott transition occurs at , where is the initial bandwidth. This value is close to those obtained in the cases of the semi‐elliptical density of states and for . In the case and the Mott gap reaches maximum width at , and it is larger than that at for half‐filling. In all considered cases positions of spectral maxima are close to those in the Hubbard‐I approximation.
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.
Abstract Using the strong-coupling diagram technique, low-temperature spectral properties of the two-dimensional fermionic Hubbard model are considered for strong and moderate Hubbard repulsions U . The electron hopping to the nearest, second and third neighbors is taken into account with hopping constants t , t ′ = − 0.3 t and t ″ = 0.2 t , respectively. The nonzero values of t ′ and t ″ lead to strong asymmetry in magnetic properties with respect to the hole and electron doping—for U = 8 t strong antiferromagnetic correlations are retained up to the electron concentration n ¯ ≈ 1.25 , while they are destroyed completely at n ¯ ≈ 0.87 . When the temperature is decreased to T ≲ 0.1 t , in a wide range of electron concentrations there appear narrow and intensive peaks at the Fermi level (FL) in densities of states. For U ≲ 6 t the peaks are seen even at half-filling, while for larger U they arise as the FL leaves the Mott gap. The peaks are connected with a narrow band emerging at low temperatures. We identify states forming the band with spin-polaron excitations—bound states of correlated electrons and mobile spin excitations. Obtained low-temperature spectral functions are used for interpreting the peak-dip-hump structure observed in the photoemission of Nd 2− x Ce x CuO 4 . In the case of hole doping, the calculated Fermi contour contains arcs near nodal points with pseudogaps near antinodal points, while for electron doping the spectral intensity is suppressed at hot spots, in agreement with experimental observations in cuprate perovskites.
The diagram technique for the one-band Hubbard model is formulated for the case of moderate to strong Hubbard repulsion.The expansion in powers of the hopping constant is expressed in terms of site cumulants of electron creation and annihilation operators.For Green's function an equation of the Larkin type is derived and solved in a one-loop approximation for the case of two dimensions and nearest-neighbor hopping.With decreasing the electron concentration in addition to the four bands observed at half-filling, a narrow band arises near the Fermi level.The dispersion of the new band, its bandwidth and the variation with filling are close to those of the spin-polaron band in the t-J model.
Using second-order perturbation theory in U for the self-energy, we solve the self-consistent equations for the local Green function of the infinite-dimensional Hubbard model. We consider the cases of Gaussian and semicircular free densities of states (DOS), and calculate the spectral densities rho ( omega ) for various U. In the semicircular case we investigate the existence of a Mott transition at half-filling. Even for large U we obtain a metallic solution. Treating the free DOS as a variable parameter, the method also gives an approximate solution of the finite-dimensional Hubbard model. We consider the case of a (regularized) logarithmic DOS appropriate for the two-dimensional case.
Abstract We consider the extended Hubbard model on a two-dimensional square lattice at half-filling. The model is investigated using the strong coupling diagram technique. We sum infinite series of ladder diagrams allowing for full-scale charge and spin fluctuations and the actual short-range antiferromagnetic order for nonzero temperatures. In agreement with earlier results, we find the first-order phase transition in the charge subsystem occurring at v = v c ≳ U/4 with v and U the intersite and on-site Coulomb repulsion constants. The transition reveals itself in an abrupt sign change of a sharp maximum in the zero-frequency charge susceptibility at the corner of the Brillouin. States arising at the transition have alternating deviations of electron occupations from the mean value on neighboring sites. Due to fluctuations, these alternating occupation deviations have short-range order. For the considered parameters, such behavior is found for U ≲ 5t with t the hopping constant. For the insulating case U ≳ 6t, in which the transition is not observed, we find a continuous growth of the Mott gap with v. The evolution of the electron density of states with increasing v is also considered.