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arXiv:0706.0105 · Physical Review B

Numerical approach to the low-doping regime of the t−J model

J. Bonča, Sadamichi Maekawa, Takami Tohyama

Published Jul 27, 2007• 56 citations
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Abstract

We develop an efficient numerical method for the description of a single-hole motion in the antiferromagnetic background. The method is free of finite-size effects and allows the calculation of physical properties at an arbitrary wave vector. A methodical increase of the functional space leads to results that are valid in the thermodynamic limit. We found good agreement with cumulant expansion, exact-diagonalization approaches on finite lattices as well as self-consistent Born approximations. The method allows a straightforward addition of other inelastic degrees of freedom, such as lattice effects. Our results confirm the existence of a finite quasiparticle weight near the band minimum for a single hole and the existence of stringlike peaks in the single-hole spectral function.

DOI
10.1103/physrevb.76.035121

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We solved numerically the integral equation for the selfenergy which describes the motion of a single hole in a two-dimensional quantum antiferromagnet (AF) within the selfconsistent Born approximation. This formulation stresses the similarity of the AF-spin polaron with the standard polaron problem. We confine our calculation to finite cluster geometries and compare with results from previous exact diagonalization studies. The spectral function is characterized by a narrow quasiparticle (qp) peak at the low energy side of the spectra, which appears to be well separated from the incoherent band part for large enough J values. For small J we find a reduced width of ~7t for the incoherent band. The bottom of the coherent qp band always occurs at (±π/2, ±π/2). Its bandwidth initially increases with J until J≃t and then decreases as 2t2/J. A complete characterization of our solution is given, including the dispersion relation and effective masses of this quasiparticle. The comparison with exact diagonalization studies for a 4×4 cluster is remarkably good. From our results we see that a lattice of 16×16 sites describes adequately the thermodynamic limit. We conclude that the simple Born approximation is a valuable scheme to characterize the dynamics of one hole in the t-J model. both in the perturbative and the strong coupling regimes.

International Journal of Modern Physics B•Jan 1, 1991•12 citations
We develop an efficient numerical method for the description of a single-hole motion in the antiferromagnetic background. The method is free of finite-size effects and allows the calculation of physical properties at an arbitrary wave vector. A methodical increase of the functional space leads to results that are valid in the thermodynamic limit. We found good agreement with cumulant expansion, exact-diagonalization approaches on finite lattices as well as self-consistent Born approximations. The method allows a straightforward addition of other inelastic degrees of freedom, such as lattice effects. Our results confirm the existence of a finite quasiparticle weight near the band minimum for a single hole and the existence of stringlike peaks in the single-hole spectral function.
The t-J model in the large-t/J and low-doping limit is approximated by an effective Hamiltonian that treats spin degrees of freedom within the linear-spin-wave approximation and the hole-hopping term with a hole-spin interaction vertex that is linear in the spin-wave operators. The Dyson's equation for the single-hole Green's function is solved numerically on finite- but sufficiently large-size square lattices. Our calculation is based on an approximate equation for the hole motion that has been obtained using a self-consistent perturbation approach where crossing diagrams are neglected. We have studied the contribution of vertex corrections and found that the leading two-loop crossing diagram is exactly zero. Thus, the leading nonzero contribution to the proper self-energy from crossing diagrams is a three-loop correction. In two dimensions, it is possible to solve Dyson's equation numerically including these three-loop corrections. The results demonstrate that the contribution of such vertex corrections is indeed small. Our solution for the hole spectral function, obtained by neglecting such small contributions from vertex corrections, shows that most features describing the hole motion are in close agreement with the results of the exact diagonalization on the 42{4}^{2}42 lattice in the region of J/t\ensuremath{\le}0.2. The results obtained on sufficiently large-size lattices suggest that certain important features of the spectral function remain while others change due to finite-size effects. In particular, we find well-defined peaks above the lowest-energy peak that survive in the thermodynamic limit. We analyze these higher-energy peaks of the spectral functions and find that they can be understood as ``string'' excitations, which are created by the hole moving in a nearly linear potential.
The spectral function of a single hole moving in a two-dimensional antiferromagnetic background is calculated, using the self-consistent Born approximation for the self-energy. For small systems, good agreement is found with the results of exact diagonalization studies. In the thermodynamic limit, the quasiparticle residue, the effective mass, and the incoherent multiple spin-wave background are determined as functions of the ratio of Heisenberg exchange J and hopping amplitude t. The relevance of the single-hole results to the physical problem of a finite hole concentration is briefly discussed.
We give numerical solutions, on finite but large-size square lattices, of the equation for the single-hole Green's function obtained by the self-consistent approach of Schmitt-Rink et al. and Kane et al. The spectral function of the hole in a quantum antiferromagnet shows that most features describing the hole motion are in close agreement with the results of the exact diagonalization on the 42{4}^{2}42 lattice in the region of J/t\ensuremath{\le}0.2. Our results obtained on sufficiently large-size lattices suggest that certain important features of the spectral function survive in the thermodynamic limit while others change due to finite-size effects. We find that the leading nonzero vertex correction is given by a two-loop diagram, which has a small contribution.
The motion of a single hole in an arbitrary magnetic background is investigated for the two-dimensional $t\ensuremath{-}J$ model. The wave function of the hole is described within a generalized string picture which leads to a modified concept of spin polarons. We calculate the one-hole spectral function using a large-string basis for the limits of a N\'eel ordered and a completely disordered background. In addition we use a simple approximation to interpolate between these cases. For the antiferromagnetic background we reproduce the well-known quasiparticle band. In the disordered case the shape of the spectral function is found to be strongly momentum dependent, the quasiparticle weight vanishes for all hole momenta. Finally, we discuss the relevance of results for the lowest energy eigenvalue and its dispersion obtained from calculations using a polaron of minimal size as found in the literature.
A finite-size scaling analysis of the spectral function and of the optical conductivity of a single hole moving in an antiferromagnetic background is performed. It is shown that both the low-energy quasiparticle peak and the broad higher-energy structure are robust with increasing cluster size from 4\ifmmode\times\else\texttimes\fi{}4 to \ensuremath{\surd}26 \ifmmode\times\else\texttimes\fi{} \ensuremath{\surd}26 sites. In the absence of spin fluctuations, for most static or dynamical quantities saturation occurs when the size exceeds a characteristic size Nc{\mathit{N}}_{\mathit{c}}Nc​(Jz{\mathit{J}}_{\mathit{z}}Jz​). Typically, 16- and 26-site clusters give reliable results for Jz{\mathit{J}}_{\mathit{z}}Jz​>0.75 and Jz{\mathit{J}}_{\mathit{z}}Jz​>0.3, respectively. The hole optical mass is shown to be very large (>20) in agreement with the small bandwidth. Due to the energy gap to flip a spin in the vicinity of a hole, a small gap \ensuremath{\propto}Jz{\mathit{J}}_{\mathit{z}}Jz​ separates the low-energy \ensuremath{\delta} function from the rest of the spectrum in the dynamical correlation functions. On the other hand, with ${\mathit{J}}_{\mathrm{\ensuremath{\perp}}}$ this gap seems to disappear with increasing system size as one would expect since the spin waves are gapless in the thermodynamic limit. The large momentum dependence of the quasiparticle weight in the isotropic case is inconsistent with a string picture but agrees well with the self-consistent Born approximation.An accurate estimation of the higher-energy part of the spectral functions of the t-J model can be made for momenta close to (0,0) or (\ensuremath{\pi},\ensuremath{\pi}); it consists of a broad featureless band. For momenta close to the Fermi surface, no evidence for excited string states is found. This may be either because the string scenario breaks down or because exact calculations at momenta near (\ensuremath{\pi}/2,\ensuremath{\pi}/2) are limited by the differing geometries of the finite clusters. In the Ising limit, the spectral function also depends crucially on the momentum, but a feature resembling a string excitation is seen for momenta close to (0,0). Our data on the finite-frequency optical conductivity of a single hole in the t-J model reveal that the total spectral weight at finite frequency has a strong size dependence and decreases with increasing size (for J not too small). This suggests that the optical mass and the optical absorption of the t-J model may have been overestimated in the past.
We solved numerically the integral equation for the selfenergy which describes the motion of a single hole in a two-dimensional quantum antiferromagnet (AF) within the selfconsistent Born approximation. This formulation stresses the similarity of the AF-spin polaron with the standard polaron problem. We confine our calculation to finite cluster geometries and compare with results from previous exact diagonalization studies. The spectral function is characterized by a narrow quasiparticle (qp) peak at the low energy side of the spectra, which appears to be well separated from the incoherent band part for large enough J values. For small J we find a reduced width of ~7t for the incoherent band. The bottom of the coherent qp band always occurs at (±π/2, ±π/2). Its bandwidth initially increases with J until J≃t and then decreases as 2t2/J. A complete characterization of our solution is given, including the dispersion relation and effective masses of this quasiparticle. The comparison with exact diagonalization studies for a 4×4 cluster is remarkably good. From our results we see that a lattice of 16×16 sites describes adequately the thermodynamic limit. We conclude that the simple Born approximation is a valuable scheme to characterize the dynamics of one hole in the t-J model. both in the perturbative and the strong coupling regimes.