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arXiv:cond-mat/9806018 · Physical review. B, Condensed matter

Comprehensive numerical and analytical study of two holes doped into the two-dimensional t−J model

A. L. Chernyshev, P. W. Leung, Robert J Gooding

Published Nov 15, 1998• 53 citations
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Abstract

We report on a detailed examination of numerical results and analytical calculations devoted to a study of two holes doped into a two-dimensional, square lattice described by the $t\ensuremath{-}J$ model. Our exact diagonalization numerical results represent the first solution of the exact ground state of two holes in a 32-site lattice. Using this wave function, we have calculated several important correlation functions, notably the electron momentum distribution function and the hole-hole spatial correlation function. Further, by studying similar quantities on smaller lattices, we have managed to perform a finite-size scaling analysis. We have augmented this work by endeavouring to compare these results to the predictions of analytical work for two holes moving in an infinite lattice. This analysis relies on the canonical transformation approach formulated recently for the $t\ensuremath{-}J$ model. From this comparison we find excellent correspondence between our numerical data and our analytical calculations. We believe that this agreement is an important step helping to justify the quasiparticle Hamiltonian, and, in particular, the quasiparticle interactions that result from the canonical transformation approach. Also, the analytical work allows us to critique the finite-size scaling ansatzes used in our analysis of the numerical data. One important feature that we can infer from this successful comparison involves the role of higher harmonics in the two-particle, d-wave symmetry bound state---the conventional $[\mathrm{cos}{(k}_{x})\ensuremath{-}\mathrm{cos}{(k}_{y})]$ term is only one of many important contributions to the d-wave symmetry pair wave function.

DOI
10.1103/physrevb.58.13594

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Physical review. B, Condensed matter•May 1, 1995•0 citations
We report on a detailed examination of numerical results and analytical calculations devoted to a study of two holes doped into a two-dimensional, square lattice described by the t\ensuremath−Jt\ensuremath{-}Jt\ensuremath−J model. Our exact diagonalization numerical results represent the first solution of the exact ground state of two holes in a 32-site lattice. Using this wave function, we have calculated several important correlation functions, notably the electron momentum distribution function and the hole-hole spatial correlation function. Further, by studying similar quantities on smaller lattices, we have managed to perform a finite-size scaling analysis. We have augmented this work by endeavouring to compare these results to the predictions of analytical work for two holes moving in an infinite lattice. This analysis relies on the canonical transformation approach formulated recently for the t\ensuremath−Jt\ensuremath{-}Jt\ensuremath−J model. From this comparison we find excellent correspondence between our numerical data and our analytical calculations. We believe that this agreement is an important step helping to justify the quasiparticle Hamiltonian, and, in particular, the quasiparticle interactions that result from the canonical transformation approach. Also, the analytical work allows us to critique the finite-size scaling ansatzes used in our analysis of the numerical data. One important feature that we can infer from this successful comparison involves the role of higher harmonics in the two-particle, d-wave symmetry bound state---the conventional [cos(kx)\ensuremath−cos(ky)][\mathrm{cos}{(k}_{x})\ensuremath{-}\mathrm{cos}{(k}_{y})][cos(kx​)\ensuremath−cos(ky​)] term is only one of many important contributions to the d-wave symmetry pair wave function.
We study a ground-state ansatz for the single-hole-doped $t\text{\ensuremath{-}}J$ model in two dimensions via a variational Monte Carlo method. Such a single-hole wave function possesses finite angular momenta generated by hidden spin currents, which give rise to a novel ground-state degeneracy in agreement with recent exact diagonalization (ED) and density matrix renormalization group (DMRG) results. We further show that the wave function can be decomposed into a quasiparticle component and an incoherent momentum distribution in excellent agreement with the DMRG results up to an $8\ifmmode\times\else\texttimes\fi{}8$ lattice. Such a two-component structure indicates the breakdown of Landau's one-to-one correspondence principle, and in particular, the quasiparticle spectral weight vanishes by a power law in the large sample size limit. By contrast, turning off the phase string induced by the hole hopping in the so-called $\ensuremath{\sigma}\ifmmode\cdot\else\textperiodcentered\fi{}t\text{\ensuremath{-}}J$ model, a conventional Bloch-wave wave function with a finite quasiparticle spectral weight can be recovered, also in agreement with the ED and DMRG results. The present study shows that a singular effect already takes place in the single-hole-doped Mott insulator, by which the bare hole is turned into a non-Landau quasiparticle with translational-symmetry breaking. Generalizations to pairing and finite doping are briefly discussed.
We solve the t-J model with four holes on a 32-site lattice using exact diagonalization. This is the largest scale calculation ever reported for this model. The size of the matrix involved in this problem is about 3×109 by 3×109. We find that at the realistic parameter J/t = 0.3, holes in the ground state of this system are unbound. They have short range repulsion due to lowering of kinetic energy. The electron momentum distribution function resembles hole pockets. We show that in case antiferromagnetic order is strong, holes form d-wave bound pairs and there is mutual repulsion among the holes. This presumably will occur at low doping level.
The spectral functions of one hole in the t-J and one-band Hubbard models are calculated using exact diagonalization techniques on small lattices. Results for the t-Jz{\mathit{J}}_{\mathit{z}}Jz​ model are also presented. For the t-J model we found that there is a quasiparticle at the bottom of the hole spectrum with an energy well approximated by Eh{\mathit{E}}_{\mathit{h}}Eh​=-3.17+2.83J0.73{\mathit{J}}^{0.73}J0.73 (for 0.1\ensuremath{\le}J\ensuremath{\le}1.0, t=1) on a 4\ifmmode\times\else\texttimes\fi{}4 lattice. The rest of the spectrum is not incoherent: We identified at least two other peaks following a similar power-law behavior with J. We speculate that the J dependence of the results can be explained by a model where the hole is trapped in a confining potential as in the Ising limit. The bandwidth of the hole is linear in J in the region 0.1\ensuremath{\le}J\ensuremath{\le}0.4 although a power-law behavior is not excluded. The spectral weight of the quasiparticle grows like J0.5{\mathit{J}}^{0.5}J0.5 in the same region. We present new analytical results in the large J/t limit to understand the motion of the hole: In perturbation theory it can be shown that the momentum of the hole at large J/t is k=(\ensuremath{\pi},\ensuremath{\pi}) changing to k=(\ensuremath{\pi}/2,\ensuremath{\pi}/2) at intermediate J/t in agreement with numerical and spin-waves results. We show analytically and numerically that the bandwidth of the quasiparticle is of order t in the large J/t limit. This result corresponds to a spin-liquid state. The one-hole spectral function of the Hubbard model is obtained for lattices with 8 and 10 sites. A quasiparticle is also observed in this case. The bandwidth and the relation with the t-J model are discussed and a comparison with recent Monte Carlo results is made. We also review and extend previous results for the ground-state properties of the t-J model.
A single-hole ground state Ansatz for the two-dimensional t-J model has been recently studied by the variational Monte Carlo (VMC) method.Such a doped hole behaves like a "twisted" non-Landau quasiparticle characterized by an emergent quantum number in agreement with exact numerics.In this work, we further investigate the ground state of two holes by VMC.It is found that the two holes strongly attract each other to form a pairing state with a new quantum number the same as obtained by the numerical exact diagonalization and density matrix renormalization group (DMRG) calculations.A unique feature of this pairing state is a dichotomy in the pairing symmetry, i.e., a d wave in terms of the electron c operators and an s wave in terms of the new quasiparticles, as explicitly illustrated in the ground state wave function.A similar VMC study of a two-hole wave function for the t-J two-leg ladder also yields a good agreement with the DMRG result.We demonstrate that the pairing mechanism responsible for the strong binding here is not due to the long-range antiferromagnetic order nor the resonating-valence-bound pairing in the spin background but is the consequence of the quantum phase strings created by the hopping of holes.The resulting spin-current pattern mediating the pairing force is explicitly illustrated in the VMC calculation.Physical implications to superconductivity at finite doping are also discussed.
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.
We have calculated the hole-hole correlation function for two holes doped into a S=1/2 antiferromagnetic insulator described by the t-J model on a 16-site \ensuremath{\surd}8\ifmmode\times\else\texttimes\fi{}\ensuremath{\surd}32 lattice and a 24-site \ensuremath{\surd}18\ifmmode\times\else\texttimes\fi{}\ensuremath{\surd}32 lattice using an exact diagonalization technique. We predict that the carriers described by this model, in the parameter range relevant to CuO2{\mathrm{CuO}}_{2}CuO2​ planes, tend to stay as far apart as possible. This result is in direct contradiction to previously published exact diagonalization data [e.g., D. Poilblanc, Phys. Rev. B 49, 1477 (1994)]. We suggest that if the carriers do tend to stay as far apart from one another as possible, then the electron momentum distribution function shows evidence for hole pockets at k\ensuremath{\rightarrow}=(\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2,\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2), consistent with many recent studies of these models, including recent photoemission work.