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Physical review. B, Condensed matter

Hole dynamics in a strongly correlated two-dimensional spin background

Holger Fehske, V. Waas, Heinrich Röder, H. Büttner

Published Oct 15, 1991• 43 citations
Publisher

Abstract

In this paper we present results of finite-lattice studies of the t-J and the t-t'-J model for 18 (20) sites with up to 4 (2) holes. A modified Lanczos algorithm allowed for the classification of the ground state according to total spin S. In the one-hole sector we find evidence for the existence of hole pockets. We calculate the effective quasiparticle band and show qualitative differences between the t-J and t-t'-J model for J\ensuremath{\gtrsim}0.2. As U increases we notice a substantial band narrowing, which is maximal at the Nagaoka transition, accompanied by S-level crossings rendering a quasiparticle description difficult. In the high-doping regime we present hole binding energies for up to six holes for the t-J model. Evidence for phase separation is only found for J>t. We also studied the magnetic structure of the ground state on the 18-site lattice in the limit J=0. We present a complete ground-state classification for all numbers of holes ${\mathit{N}}_{\mathit{h}}$ and find S=${\mathit{S}}_{\mathrm{max}}$ at quarter filling in addition to the Nagaoka case.

DOI
10.1103/physrevb.44.8473

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Detailed Lanczos study of one- and two-hole band structure and finite-size effects in thet-Jmodel

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Hubbard model with one hole: Ground-state properties

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The ground state of the two-dimensional Hubbard model on a square lattice is studied in the large-U limit in a half-filled band with a dynamical hole. For a 4\ifmmode\times\else\texttimes\fi{}4 lattice with hopping t=1 and coupling J${J}_{c}$\ensuremath{\approxeq}0.075, the ground state has zero momentum (k) and spin 15/2 (ferromagnetic background). For J\ensuremath{\ge}${J}_{c}$ the ground state is degenerate with nonzero k and spin 1/2, in agreement with recent variational calculations. The nonzero k of the ground state comes from a nontrivial phase in the overlap of the spin states before and after a hole move. For small lattices we show that the effective Hamiltonian of the hole is that of a particle moving in a magnetic field. We also find that many of the features of the weak-coupling region carry over continuously to the strong-coupling region.

Physical review. B, Condensed matter•Oct 1, 1989•79 citations
In this paper we present results of finite-lattice studies of the t-J and the t-t'-J model for 18 (20) sites with up to 4 (2) holes. A modified Lanczos algorithm allowed for the classification of the ground state according to total spin S. In the one-hole sector we find evidence for the existence of hole pockets. We calculate the effective quasiparticle band and show qualitative differences between the t-J and t-t'-J model for J\ensuremath{\gtrsim}0.2. As U increases we notice a substantial band narrowing, which is maximal at the Nagaoka transition, accompanied by S-level crossings rendering a quasiparticle description difficult. In the high-doping regime we present hole binding energies for up to six holes for the t-J model. Evidence for phase separation is only found for J>t. We also studied the magnetic structure of the ground state on the 18-site lattice in the limit J=0. We present a complete ground-state classification for all numbers of holes Nh{\mathit{N}}_{\mathit{h}}Nh​ and find S=Smax{\mathit{S}}_{\mathrm{max}}Smax​ at quarter filling in addition to the Nagaoka case.
Clusters of the two-dimensional t-J model with two holes and up to 26 sites are diagonalized using a Lanczos algorithm. The behavior of the binding energy with system size suggests the existence of a finite critical value of J above which binding occurs in the bulk. Only the d-wave pair-field operator acting on the Heisenberg ground state has a finite overlap with the two-hole ground state for all the clusters considered. The related spectral function associated with the propagation of a d-wave (singlet) pair of holes in the antiferromagnetic background is calculated. The quasiparticle peak at the bottom of the spectrum as well as some structure appearing above the peak survive with increasing cluster size. Although no simple scaling law was found for the quasiparticle weight the data strongly suggest that this weight is finite in the bulk limit and is roughly proportional to the antiferromagnetic coupling J (for J1).
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.
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.
We present accurate numerical results for low-lying one- and two-hole states in the t-J model on a 4\ifmmode\times\else\texttimes\fi{}4 lattice. We find six level crossings in the one-hole ground state for 0t/J\ensuremath{\infty}; accurate t/J values of these crossings and the associated ground-state quantum numbers are given. A degeneracy of k=(0,0) S=1/2, and S=3/2 one-hole levels at t/J=1/2 is noted, which is consistent with a recent analytical result. For small t/J, the S=1/2 one-hole and S=0 two-hole bandwidths on the 4\ifmmode\times\else\texttimes\fi{}4 lattice are Wh{\mathit{W}}_{\mathit{h}}Wh​=[1.190 445 7(1)]t and Whh{\mathit{W}}_{\mathrm{hh}}Whh​=[2.575(4)]t2{\mathit{t}}^{2}t2/J, respectively. The origin of these qualitatively different behaviors is discussed, and a simple relation is found between the small-(t/J) one-hole bandwidth and a static-hole ground-state matrix element. The linear-t term in Wh{\mathit{W}}_{\mathit{h}}Wh​ is apparently a finite-lattice artifact. As a measure of finite-size effects we determined the rms hole-hole separation in the two-hole ground states; we find evidence of important finite-size effects for t/J\ensuremath{\gtrsim}1, for which the rms hole-hole separation is clearly constrained by the 4\ifmmode\times\else\texttimes\fi{}4 lattice. Intermediate-(t/J) hole separations and binding energies for 0.3\ensuremath{\lesssim}t/J\ensuremath{\lesssim}1, however, scale approximately as powers of t/J, and can be used to give bulk-limit estimates for t/J=3. In particular, we estimate that the bulk-limit ground-state rms hole-hole separation at t/J=3 is \ensuremath{\approxeq}1.8a0{\mathit{a}}_{0}a0​, corresponding to 7 \AA{} in the high-temperature superconductors. The similarity to the observed in-plane coherence length of ${\ensuremath{\xi}}_{\mathit{a}\mathit{b}}$\ensuremath{\approxeq}14 \AA{} supports the identification of t-J model hole pairs with the Cooper pairs of high-temperature superconductivity.
Solid state physics, a very broad field in natural science, aims to explain physical properties of materials modeled as a many-body ensemble of the order of ∼ 10^23 interacting particles. For interacting metallic systems, one of the most powerful tools for unraveling the consequences of the collective interaction is the Fermi liquid theory. While still being an approximation, it excellently models many materials especially in the low-temperature and low-energy regime by treating themany-body problem as being equivalent to effectively non-interacting ”particles”, which is done by introducing the concept of quasiparticles. During the last few decades, several exotic phases of matter have been discovered, which originate from strong Coulomb interactions between the electrons, whose description is beyond the Fermi liquid theory. This thesis addresses the question of the validity of Fermi liquid theory once a single hole is introduced into an antiferromagnet with completely localized spins due to the strong interactions. Here, the most-studied case concerns the so-called 2D t − J model, which hosts a well-defined quasiparticle, the spin polaron. Focusing on a more tractable case, the t − Jz model without quantum spin fluctuations, we study the stability of the spin polaron solution once the nextnearest neighbor hopping t′ is introduced into the system. We focus on observations at the Γ-point and the X-point of systems with fixed Jz = 0.4t and varying t′ ∈ [−0.5t, 0.5t]. The model is numerically solved using exact diagonalization on finite-size lattices of up to 32 sites. A study of the quasiparticle weight under finite-size scaling reveals an “anomalous” regime at the Γ-point fort′ ≤ −0.3t, indicated by a vanishing quasiparticle weight. In order to characterize the low-energy dynamics within this “anomalous” regime, we investigated the spin correlation centered around the hole, as well as the magnon number distribution of a single-doped 20-site system. Based on the results, we present a preliminary picture of the antiferromagnetic ground state doped with one hole within that “anomalous” regime (t′ ≤ −0.3t) that deviates from the standard spin polaron as the cloud of magnetic fluctuations, typically localized around the hole, delocalizes over the whole finite-size lattice. Consequently, such systems show a weakly suppressed antiferromagnetic configuration under single-hole doping.
The ground state of the two-dimensional Hubbard model on a square lattice is studied in the large-U limit in a half-filled band with a dynamical hole. For a 4\ifmmode\times\else\texttimes\fi{}4 lattice with hopping t=1 and coupling JJc{J}_{c}Jc​\ensuremath{\approxeq}0.075, the ground state has zero momentum (k) and spin 15/2 (ferromagnetic background). For J\ensuremath{\ge}Jc{J}_{c}Jc​ the ground state is degenerate with nonzero k and spin 1/2, in agreement with recent variational calculations. The nonzero k of the ground state comes from a nontrivial phase in the overlap of the spin states before and after a hole move. For small lattices we show that the effective Hamiltonian of the hole is that of a particle moving in a magnetic field. We also find that many of the features of the weak-coupling region carry over continuously to the strong-coupling region.