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Physical review. B, Condensed matter

Exact solution of a periodic-cluster Hubbard model with an electron-lattice interaction

César R. Proetto, L. M. Falicov

Published Jul 15, 1988• 9 citations
Publisher

Abstract

An exact solution of a modified Hubbard model for a tetrahedral cluster with periodic boundary conditions is presented. It includes a static electron-lattice interaction in which the intersite bond-hopping parameter is a function of the bond electron occupation. It is found that the intrasite Coulomb repulsion and the effective attractive electron-lattice interaction have, generally speaking, opposite (although not identical) effects. They cancel each other exactly along a line of singularities in parameter space. The state vectors are easily obtained analytically. A study is made of magnetic and superconducting static correlation functions as functions of the parameters. Various forms of anisotropic superconducting fluctuations are favored in the various regimes. There is an indication of possible states with coexisting nonuniform, nonisotropic superconductivity and antiferromagnetism caused by a ``compromise'' between the competing forces.

DOI
10.1103/physrevb.38.1754

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An exact solution of a modified Hubbard model for a tetrahedral cluster with periodic boundary conditions is presented. It includes a static electron-lattice interaction in which the intersite bond-hopping parameter is a function of the bond electron occupation. It is found that the intrasite Coulomb repulsion and the effective attractive electron-lattice interaction have, generally speaking, opposite (although not identical) effects. They cancel each other exactly along a line of singularities in parameter space. The state vectors are easily obtained analytically. A study is made of magnetic and superconducting static correlation functions as functions of the parameters. Various forms of anisotropic superconducting fluctuations are favored in the various regimes. There is an indication of possible states with coexisting nonuniform, nonisotropic superconductivity and antiferromagnetism caused by a ``compromise'' between the competing forces.
We investigate two-site electronic correlations within generalized Hubbard model, which incorporates the conventional Hubbard model (parameters: t (hopping between nearest neighbours), U (Coulomb repulsion (attraction))) supplemented by the intersite Coulomb interactions (parameters: J (1) (parallel spins), J (2) (antiparallel spins)) and the hopping of the intrasite Cooper pairs (parameter: V ).As a first step we find the eigenvalues Eα and eigenvectors |E α of the dimer and we represent each partial Hamiltonian Eα|Eα Eα| (α = 1, 2, . . ., 16) in the second quantization with the use of the Hubbard and spin operators.Each dimer energy level possesses its own Hamiltonian describing different two-site interactions which can be active only in the case when the level will be occupied by the electrons.A typical feature is the appearance of two generalized t-J interactions ascribed to two different energy levels which do not vanish even for U = J (1) = J (2) = V = 0 and their coupling constants are equal to ±t in this case.In the large U -limit for J (1) = J (2) = V = 0 there is only one t-J interaction with coupling constant equal to 4t 2 /|U | as in the case of a real lattice.The competition between ferromagnetism, antiferromagnetism and superconductivity (intrasite and intersite pairings) is also a typical feature of the model because it persists in the case U = J (1) = J (2) = V = 0 and t = 0.The same types of the electronic, competitive interactions are scattered between different energy levels and therefore their thermodynamical activities are dependent on the occupation of these levels.It qualitatively explains the origin of the phase diagram of the model.We consider also a real lattice as a set of interacting dimers to show that the competition between magnetism and superconductivity seems to be universal for fermionic lattice models.
An extended Hubbard model for a single band, including Coulomb repulsion and correlated hopping between nearest neighbors, is studied using a generalized mean-field approach. Antiferromagnetism and superconductivity are probed for arbitrary occupation number, near and away from half filling. Binding of pairs in the superconducting state of this purely repulsive model is mediated by the correlated hopping in the form of a covalent-bond configuration, with partial intrasite and intersite pairings. A region of coexistence is conjectured, the superconductivity being suppressed by the saturation of the staggered magnetic moment. Singlet superconducting nonmagnetic states are obtained for the almost-empty- or full-band cases. On the other hand, antiferromagnetism induces mixed s- and p-type superconductivities in the neighborhood of half filling.
The t-t'-J model (strongly interacting limit of a particular Hubbard model) is solved exactly on small clusters of eight sites with periodic boundary conditions for the simple-, body-centered-, and face-centered-cubic lattices and for the two-dimensional square lattice. The symmetry, k vector, and spin of the ground state are studied as functions of crystalline environment, interaction strength, and electron concentration. Phase diagrams are presented for stable solutions, and regions of parameter space that exhibit ferromagnetism and heavy-fermionic behavior are identified.
We study the one-band Hubbard model in a three dimensional simple cubic lattice, with periodic boundary conditions, by means of a variational analytic approach. Ground state energies and pairing correlations depend implicitly on the interaction strength (U/41). It is shown that for two electrons, the interaction is always repulsive in the ground state for any positive value of the on-site Coulomb interaction U. Implications of this result for superconductivity are also discussed. Nigerian Journal of Physics Vol. 16(2) 2004: 167-171
The Hubbard model extended by either nearest-neighbour Coulomb correlation and/or nearest neighbour Heisenberg exchange is solved analytically for a triangle and tetrahedron.All eigenvalues and eigenvectors are given as functions of the model parameters in a closed form.The groundstate crossings and degeneracies are discussed both for the canonical and grand-canonical energy levels.The grand canonical potential Ω(µ, T, h) and the electron occupation N (µ, T, h) of the related cluster gases were calculated for arbitrary values (attractive and repulsive) of the three interaction constants.In the pure Hubbard model we found various steps in N (µ, T = 0, h) higher than one.It is shown that the various degeneracies of the grand-canonical energy levels are partially lifted by an antiferromagnetic exchange interaction, whereas a moderate ferromagnetic exchange modifies only slightly the results of the pure Hubbard model.A repulsive nn Coulomb correlation lifts these degeneracies completely.The relation of the cluster gas results to extended systems is discussed.
The authors use an unrestricted self-consistent mean-field approach to the one-dimensional periodic Hubbard model to study its ground-state phase diagram. Their approach allows one to incorporate spin and electron correlations as well as spin and charge fluctuations. The authors find that a homogeneous antiferromagnetic state exists only at half-filling, where the state is also insulating. Off half-filling, it was found that the ground state of the Hubbard model consists of clusters with different magnetic and charge properties. For certain values of the parameters of the system the cluster formation develops to a full phase separation. The effects of the intersite repulsive or attractive interaction on the ground-state properties were also examined. Implications of the authors results for the existence of a superconducting ground state as well as comparison with other studies will be briefly discussed.