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arXiv:cond-mat/9705088 · Physical review. B, Condensed matter

Spin and charge structure factor of the two-dimensional Hubbard model

Walter Zimmermann, Raymond Frésard, P. Wölfle

Published Oct 15, 1997• 43 citations
arXivHTMLPDF

Abstract

The spin and charge structure factors are calculated for the Hubbard model on the square lattice near half filling using a spin-rotation invariant six-slave boson representation. The charge structure factor shows a broad maximum at the zone corner and is found to decrease monotonically with increasing interaction strength and electron density and increasing temperature. The spin structure factor develops with increasing interaction two incommensurate peaks at the zone boundary and along the zone diagonal. Comparison with results of quantum Monte Carlo and variational calculations is carried out and the agreement is found to be good. The limitations of a random-phase-approximation type approach are pointed out.

DOI
10.1103/physrevb.56.10097

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The spin and charge structure factors are calculated for the Hubbard model on the square lattice near half filling using a spin-rotation invariant six-slave boson representation. The charge structure factor shows a broad maximum at the zone corner and is found to decrease monotonically with increasing interaction strength and electron density and increasing temperature. The spin structure factor develops with increasing interaction two incommensurate peaks at the zone boundary and along the zone diagonal. Comparison with results of quantum Monte Carlo and variational calculations is carried out and the agreement is found to be good. The limitations of a random-phase-approximation type approach are pointed out.
A concise general expression for the dynamical charge susceptibility of the Hubbard model is presented. The results are obtained from the spin-rotation-invariant slave-boson theory, whose paramagnetic saddle point corresponds to Gutzwiller's variational approximation. The charge structure factor and charge susceptibility are calculated for a wide range of interactions and temperatures and are compared thoroughly with the available quantum Monte Carlo and variational Monte Carlo results for the one-dimensional Hubbard model. The comparison shows reasonable agreement. All the calculations are done in a totally self-consistent way, without adjustable parameters.
We present a comprehensive study of the two-dimensional one-band Hubbard model applying the spin-rotation-invariant slave-boson method. We utilize a spiral magnetic mean field and fluctuations around a paramagnetic mean field to determine the magnetic phase diagram and find the two approaches to be in good agreement. Apart from the commensurate phases characterized by ordering wave vectors $\mathbf{Q}=(\ensuremath{\pi},\ensuremath{\pi})$, $(0,\ensuremath{\pi})$, and (0,0) we find incommensurate phases where the ordering wave vectors Q=(Q,Q)\mathbf{Q}=(Q,Q)Q=(Q,Q) and $(Q,\ensuremath{\pi})$ vary continuously with filling, interaction strength, or temperature. The mean-field quantities magnetization and effective mass are found to change discontinuously at the phase boundaries separating the (Q,Q)(Q,Q)(Q,Q) and $(Q,\ensuremath{\pi})$ phases, indicating a first-order transition. The band structure and Fermi surface is shown in selected cases. The dynamic spin and charge susceptibilities as well as the structure factors are calculated and discussed, including the emergence of collective modes of the zero sound and Mott insulator type. The dynamical conductivity is calculated in dependence of doping, interaction strength, and temperature. Finally, a temperature-interaction strength phase diagram is established.
We present a comprehensive study of the 2D one-band Hubbard model applying the spin rotation invariant slave-boson method. We utilize a spiral magnetic mean field and fluctuations around a paramagnetic mean field to determine the magnetic phase diagram and find the two approaches to be in good agreement. Apart from the commensurate phases characterized by ordering wave vectors Q=(π,π),(0,π), and (0,0) we find incommensurate phases where the ordering wave vectors Q=(Q,Q), and (Q,π) vary continuously with filling, interaction strength or temperature. The mean field quantities magnetization and effective mass are found to change discontinuously at the phase boundaries separating the (Q,Q) and (Q,π) phases, indicating a first order transition. The band structure and Fermi surface is shown in selected cases. The dynamic spin and charge susceptibilities as well as the structure factors are calculated and discussed, including the emergence of collective modes of the zero sound and Mott insulator type. The dynamical conductivity is calculated in dependence of doping, interaction strength and temperature. Finally, a temperature-interaction strength phase diagram is established.
The Hubbard model on a square lattice in the ground state is investigated. Various aspects of Mott transition at half-filling are clarified from the quantum Monte Carlo study. Critical exponents of the transition for charge and spin correlations are estimated. For the doping concentration δ, the charge susceptibility is proportional to δ -1 indicating the divergence of charge mass for δ→0, while the spin susceptibility is always finite and not singular near δ=0. Several theoretical consequences of the above results are discussed. Incommensurate peak amplitude of spin correlation scales as (δ-δ c ) -1 with δ c <0.01 in disagreement with RPA results ln (δ-δ c ). The antiferromagnetic order at the half-filling also shows strong correlation character and is not sensitive to the shape of the fermi surface, while the incommensurate peak observed away from the half-filling is sensitively suppressed by the loss of partial nesting consistently with the weak coupling picture. Comparisons with experimental indications of high- T c oxides are made.
Quantum Monte Carlo study of the Hubbard model on a square lattice in the ground state is reported. For the on-site interaction U =4 scaled by the transfer, the charge excitation gap at the half-filling is estimated to be Δ c =0.58±0.08. Near half-filling, the charge compressibility κ follows the form κ∝δ -1 for the doping concentration δ, indicating a divergent behavior as the system approaches half-filling, while κ=0 at the half-filling. The incommensurate spin correlation length ξ scales as ξ∝1/δ\sqrt{\delta}δ​.
The Hubbard model has been widely used to describe magnetism due to itinerant electrons. However, except for the one-dimensional case, no exact solution of the model exists. We have studied the two-dimensional Hubbard model on a square lattice using a Monte Carlo simulation technique. Simulations were performed on lattices of up to 8×8 in spatial size. We will discuss results for thermodynamic properties and correlation functions as a function of temperature and interaction strength. For the half-filled band case, our results indicate that the system exhibits long-range antiferromagnetic order in the ground state for any nonzero interaction, although substantially reduced from the classical Néel state due to both charge and spin fluctuations. For the non-half-filled band case, our results suggest that no long-range magnetic order exists. We also don’t find any indication of short-ranged ferromagnetic correlations in the parameter range studied. We have also studied the predictions of various approximate treatments for this model, particularly the static approximation and the coherent potential approximation (CPA). By comparison with the Monte Carlo results, we discuss the validity of these schemes. Finally, we discuss the effect of changing the band structure on the magnetic properties of the system.