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Physical review. B, Condensed matter

Small-cluster study of a single-holet-Jmodel

Tao Xiang

Published Aug 1, 1991• 7 citations
Publisher

Abstract

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).

DOI
10.1103/physrevb.44.2276

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arXiv:cond-mat/9508038•Physical review. B, Condensed matter•Oct 1, 1995•6 citations
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).
The ground state of a single hole in the one- and two-dimensional t-J model is studied for finite systems as a function of the phase in the kinetic energy term. The coherent effective hopping tc∗{\mathit{t}}_{\mathit{c}}^{\mathrm{*}}tc∗​ and the incoherent hopping ti∗{\mathit{t}}_{\mathit{i}}^{\mathrm{*}}ti∗​, evaluated in this way, are connected via the conductivity sum rule. It is shown that for even and odd chains tc∗{\mathit{t}}_{\mathit{c}}^{\mathrm{*}}tc∗​\ensuremath{\sim}ti∗{\mathit{t}}_{\mathit{i}}^{\mathrm{*}}ti∗​, while their reduction from the free value t remains small even for large J/t. The Bethe ansatz solution, obtained for J=2t, is consistent with the latter result, yielding tc∗{\mathit{t}}_{\mathit{c}}^{\mathrm{*}}tc∗​/t\ensuremath{\sim}0.938. In the 4\ifmmode\times\else\texttimes\fi{}4 system, the phase variation yields a nontrivial energy manifold. The minimum appears to be near the (\ensuremath{\pi}/2,\ensuremath{\pi}/2)-(\ensuremath{\pi},0) line in the Brillouin zone for J/t1, while moving towards the (\ensuremath{\pi}/2,\ensuremath{\pi}/2)-(\ensuremath{\pi},\ensuremath{\pi}) line for J/t\ensuremath{\gg}1.
We have investigated one-hole motion in the anisotropic three-dimensional (A3D) quantum antiferromagnet by use of the A3D t-J model in a simple cubic lattice. The hopping matrix element and the Heisenberg exchange energy are t and J in the xy plane. They are ${\mathit{t}}_{\mathrm{\ensuremath{\perp}}}$ and ${\mathit{J}}_{\mathrm{\ensuremath{\perp}}}$ in the z direction. Within the self-consistent mean-field approximation, the hole spectral function has been calculated by use of an iterative technique. We find that the quasiparticle picture still holds and the lowest-energy quasiparticle state has momentum either k=(\ensuremath{\pi}/2,\ensuremath{\pi}/2,\ensuremath{\pi}/2) or k=(\ensuremath{\pi}/2,\ensuremath{\pi}/2,0) depending on the parameters of the model. Holding J and ${\mathit{J}}_{\mathrm{\ensuremath{\perp}}}$ constant and allowing ${\mathit{t}}_{\mathrm{\ensuremath{\perp}}}$ to increase, the spectral weight and the peak height of the quasiparticle decreases. In the quasi-two-dimensional cases with small ${\mathit{t}}_{\mathrm{\ensuremath{\perp}}}$ and ${\mathit{J}}_{\mathrm{\ensuremath{\perp}}}$, the spectral weight and the peak height of the quasiparticle are smaller than those in the exact two-dimensional case.
We present results of an exact diagonalization calculation of the spectral function A(k,\ensuremath{\omega}) for a single hole described by the t-J model propagating on a 32-site square cluster. The minimum energy state is found at a crystal momentum k=(\ensuremath{\pi}/2,\ensuremath{\pi}/2), consistent with theory, and our measured dispersion relation agrees well with that determined using the self-consistent Born approximation. In contrast to smaller cluster studies, our spectra show no evidence of string resonances. We also make a qualitative comparison of the variation of the spectral weight in various regions of the first Brillouin zone with recent angle-resolved-photoemission data.
A semiclassical analysis, as well as symmetry considerations, are used to explain and extend published quantum-cluster results for the ground state of a hole in a quantum antiferromagnet (AF). For the ground state with a wave vector in the face center of the reduced Brillouin zone, the spins twist into a dipolar configuration around the hole to optimize the hopping term, but remain coplanar. More complicated three-dimensional spin textures with staggered topological charge can be constructed by superimposing dipole states corresponding to distinct points in the Brillouin zone and different planes of spin twist. An effective Hamiltonian for the hole that generalizes the nonlinear sigma model is derived. The essential new term that is responsible for the textures described is a coupling between spin currents for the holes and background spins. The presence of the local antiferromagnetic correlations dictates a spinor representation of the vacancy. This description provides the foundation for the study of the phases of a quantum AF at low vacancy density.
The coupled-cluster method has recently proved to be efficient in calculating the ground state of strongly interacting spins or fermions on lattices. We apply it to the ground state of one hole in the half-filled Hubbard model on a two-dimensional square lattice. In a wide range for the interaction 10\ensuremath{\lesssim}U/t\ensuremath{\lesssim}80, the ground-state energy of a hole is fitted by a simple function \ensuremath{\epsilon}/t\ensuremath{\approxeq}-3.40+8.9(t/U)0.70{)}^{0.70})0.70, in good agreement with the results obtained through exact diagonalizations on small clusters. The effective mass of a hole m∗{\mathit{m}}^{\mathrm{*}}m∗=8t/W (W represents the bandwidth) is proportional to U/T (m∗{\mathit{m}}^{\mathrm{*}}m∗\ensuremath{\approxeq}0.845U/t) for 5\ensuremath{\lesssim}U/t\ensuremath{\lesssim}20 and saturates to a constant value m∗{\mathit{m}}^{\mathrm{*}}m∗\ensuremath{\approxeq}84 for large U/t.
We report numerical results for the single-hole properties in the t-J model and the strong-coupling approximation to the Hubbard model in two dimensions. Using the hopping basis with over 106{10}^{6}106 states we discuss (for an infinite system) the bandwidth, the leading Fourier coefficients in the dispersion, the band masses, and the spin-spin correlations near the hole. We compare our results with those obtained by other methods. The band minimum is found to be at (\ensuremath{\pi}/2,\ensuremath{\pi}/2) for the t-J model for 0.1\ensuremath{\le}t/J\ensuremath{\le}10, and for the strong-coupling model for 1\ensuremath{\le}t/J\ensuremath{\le}10. The bandwidth in both models is approximately 2J at large t/J, in rough agreement with loop-expansion results but in disagreement with other results. The strong-coupling bandwidth for t/J\ensuremath{\gtrsim}6 can be obtained from the t-J model by treating the three-site terms in first-order perturbation theory. The dispersion along the magnetic zone face is flat, giving a large parallel/perpendicular band mass ratio.