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arXiv:cond-mat/9308010 · Physical review. B, Condensed matter

Exact-diagonalization demonstration of incommensurability and the associated Fermi surface forNholes in thet-Jmodel

Robert J Gooding, K. J. E. Vos, P. W. Leung

Published Feb 1, 1994• 27 citations
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Abstract

We have calculated S(q) and the single particle distribution function 〈${\mathit{n}}_{\mathbf{q}}$〉 for N holes in the t-J model on a nonsquare \ensuremath{\surd}8 \ifmmode\times\else\texttimes\fi{} \ensuremath{\surd}32 16-site lattice with periodic boundary conditions. We justify the use of this lattice by appealing to results obtained from the conventional 4\ifmmode\times\else\texttimes\fi{}4 16-site cluster, and an undoped 32-site system, each having the full square symmetry of the bulk. This new cluster has a high density of k points along the diagonal of reciprocal space, viz. along k=k(1,1). The results clearly demonstrate that when the single-hole problem has a ground state with a system momentum of k=(\ensuremath{\pi}/2,\ensuremath{\pi}/2), the resulting ground state for N holes involves a shift of the peak of the system's structure factor away from the antiferromagnetic state q=(\ensuremath{\pi},\ensuremath{\pi}). This shift effectively increases continuously with N. When the single hole problem has a ground state with a momentum that is not equal to k=(\ensuremath{\pi}/2,\ensuremath{\pi}/2), something that may easily be accomplished through the use of the t-t'-J model with t'/t small and positive, then the above-mentioned incommensurability for N holes is not found---the maximum of S(q) remains at q=(\ensuremath{\pi},\ensuremath{\pi}) for all N.The existence of the incommensurate ground states are presented in conjunction with the electron and hole momentum distribution functions. Our results may be interpreted as evidence for rigid-band filling of the dipolar spin distortion states of Shraiman and Siggia---by studying the hole-hole correlation function we demonstrate that the holes on our cluster tend to stay as far apart as is possible, and thus rigid-band filling is not unexpected. Thus, these results demonstrate that in some instances important results for moderately doped ${\mathrm{CuO}}_{2}$ planes can be predicted from a knowledge of the properties of weakly doped planes. However, the electron Fermi surface that we obtain also satisfies Luttinger's theorem, and has dimples at the wave vectors of the single hole ground state, k=(\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2,\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2). Finally, we comment on the relation of all of these results to the incommensurability found in S(q).

DOI
10.1103/physrevb.49.4119

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We have calculated S(q) and the single particle distribution function 〈nq{\mathit{n}}_{\mathbf{q}}nq​〉 for N holes in the t-J model on a nonsquare \ensuremath{\surd}8 \ifmmode\times\else\texttimes\fi{} \ensuremath{\surd}32 16-site lattice with periodic boundary conditions. We justify the use of this lattice by appealing to results obtained from the conventional 4\ifmmode\times\else\texttimes\fi{}4 16-site cluster, and an undoped 32-site system, each having the full square symmetry of the bulk. This new cluster has a high density of k points along the diagonal of reciprocal space, viz. along k=k(1,1). The results clearly demonstrate that when the single-hole problem has a ground state with a system momentum of k=(\ensuremath{\pi}/2,\ensuremath{\pi}/2), the resulting ground state for N holes involves a shift of the peak of the system's structure factor away from the antiferromagnetic state q=(\ensuremath{\pi},\ensuremath{\pi}). This shift effectively increases continuously with N. When the single hole problem has a ground state with a momentum that is not equal to k=(\ensuremath{\pi}/2,\ensuremath{\pi}/2), something that may easily be accomplished through the use of the t-t'-J model with t'/t small and positive, then the above-mentioned incommensurability for N holes is not found---the maximum of S(q) remains at q=(\ensuremath{\pi},\ensuremath{\pi}) for all N.The existence of the incommensurate ground states are presented in conjunction with the electron and hole momentum distribution functions. Our results may be interpreted as evidence for rigid-band filling of the dipolar spin distortion states of Shraiman and Siggia---by studying the hole-hole correlation function we demonstrate that the holes on our cluster tend to stay as far apart as is possible, and thus rigid-band filling is not unexpected. Thus, these results demonstrate that in some instances important results for moderately doped CuO2{\mathrm{CuO}}_{2}CuO2​ planes can be predicted from a knowledge of the properties of weakly doped planes. However, the electron Fermi surface that we obtain also satisfies Luttinger's theorem, and has dimples at the wave vectors of the single hole ground state, k=(\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2,\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2). Finally, we comment on the relation of all of these results to the incommensurability found in S(q).
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.
We present an exact diagonalization study of the doping dependence of the single-particle Green's function in 16-, 18-, and 20-site clusters of the t-J model. We find evidence for the validity of the rigid-band picture starting from the half-filled case: upon doping, the topmost states of the quasiparticle band observed in the photoemission spectrum at half-filling cross the chemical potential and reappear as the lowermost states of the inverse photoemission spectrum. Features in the inverse photoemission spectra, which are inconsistent with the rigid-band picture, are shown to originate from the nontrivial point-group symmetry of the ground state with two holes, which enforces different selection rules than at half-filling. Deviations from rigid-band behavior which lead to the formation of a large Fermi surface in the momentum distribution are found to occur at energies far from the chemical potential. A Luttinger Fermi surface and a nearest-neighbor hopping band do not exist.
The evolution of the Fermi surface upon hole doping is studied in the t-J model of correlated electrons by exact diagonalization of chains and planes. In one dimension at low hole doping, the momentum distribution function n(k) indicates the presence of pocketlike features at the (noninteracting) Fermi momentum, while increasing the density of holes a large Fermi surface is observed. Although the results in two dimensions are consistent with this picture, conclusive evidence for the existence of hole pockets (at intermediate doping levels) cannot be provided in the present study of 4\ifmmode\times\else\texttimes\fi{}4 and \ensuremath{\surd}18 \ifmmode\times\else\texttimes\fi{} \ensuremath{\surd}18 square lattices. In order to improve the resolution in momentum space, twisted boundary conditions are used for the two-dimensional clusters.
The 2D t-J model is studied with exact-diagonalization techniques applied to clusters of sixteen to twenty sites with various hole doping levels. Already for two holes (\ensuremath{\ge}10% doping), a large electronic Fermi surface, compatible with Luttinger's theorem, is observed. The full single-particle Green's function is examined, and is shown to exhibit quasiparticlelike behavior, with dispersion consistent with the band structure of the noninteracting limit, and bandwidth scaling approximately as J for J smaller than t.
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 studied hole states on square lattices with 8, 10, 16, 18, and 20 sites by exactly diagonalizing the single-hole t-J model with twisted boundary conditions in the whole Brillouin zone. The bottom of the hole band is found to be extremely flat and anisotropic. The hole effective mass is highly anisotropic and enhanced in a quantum antiferromagnet. The momentum of a hole in the ground state is not located at high-symmetry points such as (\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2,\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2), (\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi},0), or (0,\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}). They are strongly lattice-size dependent and weakly parameter J/t (t is the hopping constant and J is the exchange constant) dependent. As the lattice size increases, the momentum of the ground state approaches the zone face center (\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2,\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2).