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Journal of the Physical Society of Japan

Magnetic Properties of the Strong Coupling Hubbard Model

Hiroshi Shimahara, Susumu Misawa, Satoshi Takada

Published Mar 15, 1989• 8 citations
Publisher

Abstract

The ferromagnetic susceptibility χ and the antiferromagnetic transition temperature T AF of the strong coupling Hubbard model ( t - J model) are studied in the improved Hubbard III approximation. It is shown that the behaviour changes drastically from the localised-spin-like to the Fermi-liquid-like with increasing the hole concentration n h from zero, and that T AF decreases very rapidly. The absence of the Fermi surface due to the damping of quasi-particles is discussed.

DOI
10.1143/jpsj.58.801

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The ferromagnetic susceptibility χ and the antiferromagnetic transition temperature T AF of the strong coupling Hubbard model ( t - J model) are studied in the improved Hubbard III approximation. It is shown that the behaviour changes drastically from the localised-spin-like to the Fermi-liquid-like with increasing the hole concentration n h from zero, and that T AF decreases very rapidly. The absence of the Fermi surface due to the damping of quasi-particles is discussed.
The authors construct a diagram technique for the (t-J) model Hamiltonian expressed in terms of Hubbard operators. This technique combines features of the diagram technique for normal Fermi systems and those for the Heisenberg model with spin operators. The general graphic structure is identified for one-particle Green functions composed of Hubbard operators. The (t-J) model has logical consistency, is reasonably simple and can serve as a working tool in exploring various properties of this model. To an approximation that resides in summing ladder-type diagrams with antiparallel electron lines, the authors calculate the system's magnetic susceptibility. A formula is derived which reflects the dual nature of the magnetic states in the Hubbard model; this duality manifests itself in the presence of a localised and an itinerant contribution in the bare susceptibility. The authors trace how the relative value of the localised contribution varies as the electron concentration is increased from 0 to 1. With n>2/3, the paramagnetic phase of the system becomes unstable with respect to the occurrence of ferromagnetic or antiferromagnetic ordering. A magnetic phase diagram for zero temperature is constructed on the (t/U, n) plane.
Using quantum Monte Carlo techniques we study the magnetic susceptibility of the Hubbard model on a two-dimensional square lattice for values of the coupling U/t ranging from 4 to 20, and as a function of temperature and doping. For U/t=4 the magnetic susceptibility has a maximum at half filling and decreases with doping, in qualitative agreement with recent random-phase-approximation calculations. However, for U/t=10 the susceptibility increases with hole doping near half filling resembling the experimental results obtained for ${\mathrm{La}}_{2\mathrm{\ensuremath{-}}\mathit{x}}$Srx{\mathrm{Sr}}_{\mathit{x}}Srx​CuO4{\mathrm{CuO}}_{4}CuO4​. At low electronic density the temperature dependence of the susceptibility is compatible with that of a Fermi liquid.
We report numerical results for the two-dimensional Hubbard model in the strong-coupling approximation, including the three-site terms omitted in the t-J model, for a 4\ifmmode\times\else\texttimes\fi{}4 system with periodic boundary conditions. We study the one- and two-hole band structures, the root-mean-square hole-hole separation, and the hole-hole binding energy for both the t-J and the strong-coupling models. In the physical parameter region (8U/t40) believed appropriate for the high-temperature superconductors, the three-site terms enhance the hole mobility, increasing the one- and two-hole bandwidths and decreasing the binding energy, but changing the hole-hole separation only slightly; quantitative differences between the models range up to 40%. The transition (at large U/t) to the ferromagnetic Nagaoka state is sharper in the strong-coupling model; our results do not support a transition through all intermediate S values in the bulk.
Anomalous properties of the normal state of a strongly correlated electron system described by an attractive extended Hubbard model are investigated. The equations of motion of the Green s functions are calculated with the two-pole approximation which gives rise to quasiparticle renormalized bands. The two-pole approximation leads to a set of correlation functions. In particular, the antiferromagnetic correlation function h~Si · ~Sji plays an important role as a source of anomalies in the normal state of the model. The uniform static magnetic susceptibility as a function of occupation nT and temperature is calculated. At low temperatures, the susceptibility presents a peak for nT ≃ 0.80. The results suggest that it is the onset of short range antiferromagnetic correlations, which could be a mechanism for the pseudogap. The Fermi surface, defined by the spectral function A(ω = 0,~k), is presented for different dopings. It has been observed that above nT ≃ 0.80 the ordinary Fermi surface evolves to a hole-pocket with pseudogaps near the antinodal points (0, π) and (π, 0).
Strong antiferromagnetic correlations can radically change the behavior of an otherwise paramagnetic system, inducing anomalous effects in the single particle properties and driving the behavior of spin-spin response functions. In order to investigate such physics, we have studied the momentum distribution function of the two-dimensional Hubbard model at low doping, low temperatures and high values of the on-site Coulomb repulsion. The interpretation of the results has greatly benefited from the parallel analysis of the filling, temperature and interaction dependences of the spin-spin correlation function, the antiferromagnetic correlation length and the pole of the spin-spin propagator. On reducing doping or temperature and on increasing the interaction strength, the correlations become stronger and stronger and the Fermi surface develops hole and electron pockets and shows a dual nature (small-large).
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.