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Physical review. B, Condensed matter

Superconductivity, hole motion, and spin-charge correlations in thet-Jmodel in two dimensions

K.-H. Luk, Daniel Lee Cox

Published Mar 1, 1990• 12 citations
Publisher

Abstract

We study the ``t-J'' model with strongly correlated electrons (infinite-U Hubbard-model kinetic energy plus superexchange J) by exact diagonalization on small two-dimensional clusters of six, eight, and twelve sites on a square lattice with periodic boundary conditions. We find an attractive pairing potential for two holes when J/t\ensuremath{\ge}(J/t${)}_{\mathit{c}}$\ensuremath{\simeq}0.2, with t the hopping matrix element. Ground-state calculations show that extended s-wave and d-wave pairing susceptibilities and equal-time pairing correlations grow weakly with increasing J and system size at fixed filling n. Pairing correlations may be enhanced for (J/t)>(J/t${)}_{\mathit{c}}$\ensuremath{\approxeq}0.2. We compare equal-time pairing correlations to a mean-field theory for J=0 and note potential difficulties with interpreting numerical results for such small systems. The widths of one- and two-hole energy bands in low-spin states are of order J; the one-hole effective mass is larger than the two-hole effective mass in such states. Spin-charge correlation functions for a single hole in the eight- and twelve-site lattices are consistent with the spin-charge decoupling scenario for resonating-valence-bond states.

DOI
10.1103/physrevb.41.4456

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Physical review. B, Condensed matter•Nov 1, 1989•169 citations
We study the ``t-J'' model with strongly correlated electrons (infinite-U Hubbard-model kinetic energy plus superexchange J) by exact diagonalization on small two-dimensional clusters of six, eight, and twelve sites on a square lattice with periodic boundary conditions. We find an attractive pairing potential for two holes when J/t\ensuremath{\ge}(J/t)c{)}_{\mathit{c}})c​\ensuremath{\simeq}0.2, with t the hopping matrix element. Ground-state calculations show that extended s-wave and d-wave pairing susceptibilities and equal-time pairing correlations grow weakly with increasing J and system size at fixed filling n. Pairing correlations may be enhanced for (J/t)>(J/t)c{)}_{\mathit{c}})c​\ensuremath{\approxeq}0.2. We compare equal-time pairing correlations to a mean-field theory for J=0 and note potential difficulties with interpreting numerical results for such small systems. The widths of one- and two-hole energy bands in low-spin states are of order J; the one-hole effective mass is larger than the two-hole effective mass in such states. Spin-charge correlation functions for a single hole in the eight- and twelve-site lattices are consistent with the spin-charge decoupling scenario for resonating-valence-bond states.
The effective Hamiltonian, obtained from the Hubbard model in the strong-coupling limit, is diagonalized exactly for a periodic two-dimensional square lattice of ten sites. We obtain the ground state of the system for any filling of the lattice and the KKK-space excitation spectrum for a single hole. Within our finite-size system, it is found that for very small coupling ratio tU\frac{t}{U}Ut​, each hole creates a local ferromagnetic environment at least of the size of our system, whereas for increasing tU\frac{t}{U}Ut​, the holes tend to form clusters, induced by antiferromagnetic spin correlations. A range of tU\frac{t}{U}Ut​ exists for which pairing of the holes may be possible.
The interactions between holes in the Hubbard model, in the low density, intermediate- to strong-coupling limit, are investigated by systematically improving mean field calculations. The configuration-interaction basis set is constructed by applying to local unrestricted Hartree-Fock configurations all lattice translations and rotations. It is shown that this technique reproduces, correctly, the properties of the Heisenberg model, in the limit of large U. Upon doping, dressed spin polarons in neighboring sites have an increased kinetic energy and an enhanced hopping rate. Both effects are of the order of the hopping integral and lead to an effective attraction at intermediate couplings. The numerical results also show that when more than two holes are added to the system, they do not tend to cluster, but rather hole pairs remain far apart. Hole-hole correlations are also calculated and shown to be in qualitative agreement with exact calculations for $4\ifmmode\times\else\texttimes\fi{}4$ clusters. In particular our results indicate that for intermediate coupling the hole-hole correlation attains a maximum when the holes are in the same sublattice at a distance of 2\sqrt{2}2​ times the lattice spacing, in agreement with exact results and the $t\ensuremath{-}J$ model. The method is also used to derive known properties of the quasiparticle band structure of isolated spin polarons.
Numerical results obtained from Monte Carlo simulation in the ground state and at finite temperatures as well as the exact diagonalization and the transfer matrix method are reported. Efficiency of the Monte Carlo method in the ground state is examined. Spin, charge and superconducting correlations are investigated for the Hubbard and the t - J model in one and two dimensions. The momentum distribution in the one-dimensional Hubbard model shows fermi-liquid-like behavior at least in two orders of magnitude smaller energy scale than the band width. The short-range incommensurate spin correlation is observed and analyzed in the doped Hubbard and the t - J model both in one and two dimensions. In the ground state, the superconducting correlation shows the absence of system size dependence in two dimensions at the filling smaller than 0.8 and in one dimension at any filling. The binding energy of two fermions and the spin and charge distortion around an itinerant fermion are also discussed in the t - J and the coupled spin-fermion model.
Extensive numerical studies have demonstrated that the two-dimensional single-band Hubbard model contains much of the key physics in cuprate high-temperature superconductors. However, there is no definitive proof that the Hubbard model truly possesses a superconducting ground state or, if it does, of how it depends on model parameters. To answer these longstanding questions, we study an extension of the Hubbard model including an infinite-range ddd-wave pair field term, which precipitates a superconducting state in the ddd-wave channel. Using exact diagonalization on 16-site square clusters, we study the evolution of the ground state as a function of the strength of the pairing term. This is achieved by monitoring the fidelity metric of the ground state, as well as determining the ratio between the two largest eigenvalues of the ddd-wave pair/spin/charge-density matrices. The calculations show a ddd-wave superconducting ground state in doped clusters bracketed by a strong antiferromagnetic state at half filling controlled by the Coulomb repulsion UUU and a weak short-range checkerboard charge ordered state at larger hole doping controlled by the next-nearest-neighbor hopping ${t}^{\ensuremath{'}}$. We also demonstrate that negative ${t}^{\ensuremath{'}}$ plays an important role in facilitating ddd-wave superconductivity.
We have studied the pair susceptibilities for all possible pair wave functions that fit on a two-dimensional (2D) eight-site Hubbard cluster by exact diagonalization of the Hamiltonian. Band fillings corresponding to four and six electrons were studied (two or four holes in the half-filled band) for a wide range of Hubbard interaction strengths and temperatures. Our results show that all pairing susceptibilities are suppressed by the Hubbard repulsion. We have also carried out perturbation-theory calculations which show that the leading-order U2{U}^{2}U2 contributions to the d-wave pair susceptibility suppresses d-wave pairing over a significant temperature range. These results are consistent with recent Monte Carlo results and provide further evidence suggesting that the 2D Hubbard model does not exhibit superconductivity.
Exact many-body states of square clusters up to 18 sites (with periodic boundary conditions) are investigated in order to study the dynamics of one or two holes in the t-J model. Our method takes full advantage of the translation, rotation, and reflection symmetries of the cluster. Using a modified Lanczos algorithm, we calculate the lowest state of all the different space-group representations and its total spin as well as its spin and hole correlations. For a single hole, at intermediate J/t values, the magnetic, kinetic energies, and staggered magnetization follow J/t power-law behaviors with size-dependent exponents. A binding energy of order J between two holes appears for sufficiently large J/t(\ensuremath{\ge}0.25). One-hole and two-hole calculations give different results regarding the stability of the Nagaoka state (against the singlet state) when J/t\ensuremath{\rightarrow}0. Energy expectation values of variational resonating-valence-bond states are calculated exactly and optimized. Significant overlaps with the exact states are found for any symmetry.