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arXiv:cond-mat/9310076 · Physical review. B, Condensed matter

Metal-insulator transition and magnetic ordering in Hubbard models near the Nagaoka limit

Q. P. Li, Robert Joynt

Published Jan 15, 1994• 10 citations
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Abstract

We study the metal-insulator transition and magnetic ordering in the Hubbard model using the particle-hole mapping. The analysis simplifies near the ferromagnetic limit. We find that the two-dimensional Hubbard model has a charge excitation gap at half filling for any finite U in this region on both the bipartite square lattice and the nonbipartite triangular lattice. In some cases, the system goes through a first-order phase transition to become a paramagnetic metal as ${\mathit{S}}_{\mathit{z}}$ is lowered. We also discuss the extension to the doped case. We find that in the large U limit, a single doped hole has a bandwidth of order of J rather than t at ${\mathit{S}}_{\mathit{z}}$=0.

DOI
10.1103/physrevb.49.1632

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We study the metal-insulator transition and magnetic ordering in the Hubbard model using the particle-hole mapping. The analysis simplifies near the ferromagnetic limit. We find that the two-dimensional Hubbard model has a charge excitation gap at half filling for any finite U in this region on both the bipartite square lattice and the nonbipartite triangular lattice. In some cases, the system goes through a first-order phase transition to become a paramagnetic metal as Sz{\mathit{S}}_{\mathit{z}}Sz​ is lowered. We also discuss the extension to the doped case. We find that in the large U limit, a single doped hole has a bandwidth of order of J rather than t at Sz{\mathit{S}}_{\mathit{z}}Sz​=0.
We study the metal-insulator transition and magnetic ordering in the Hubbard model using the particle-hole mapping. This representation facilitates the exact solution of the half-filled band in the limit of high spin. We find that the two-dimensional Hubbard model has a charge-excitation gap at half filling for any finite U in the high-spin region on both the bipartite square lattice and the nonbipartite triangular lattice. We show, using the Kohn insulator criteria, that this bound-state phase is indeed insulating. Using the information from the single-pair solution, we construct a generalized BCS type of many-body wave function and derive the gap equation for lower-spin states. We find that in some cases, the system goes through a phase transition to become a metal as the total spin Sz{\mathit{S}}_{\mathit{z}}Sz​ is lowered.
We investigate the metal-insulator transition in the half-filled Hubbard model on the two-dimensional triangular lattice using both the Kotliar-Ruckenstein slave-boson technique and an exact numerical diagonalization of finite clusters. Contrary to the case of a square lattice, where a perfect nesting of the Fermi surface leads to a metal-insulator transition at arbitrarily small values of U, always accompanied by antiferromagnetic ordering, on a triangular lattice, due to the lack of perfect nesting, the transition takes place at a finite value of U, and frustration induces a nontrivial competition among different magnetic phases. Indeed, within the mean-field approximation in the slave-boson approach, as the interaction grows the paramagnetic metal turns into a metallic phase with incommensurate spiral ordering. Increasing the interaction further, a linear spin-density wave is stabilized, and finally for strong coupling the latter phase undergoes a first-order transition toward an antiferromagnetic insulator. No trace of the intermediate phases is seen in the exact diagonalization results, indicating a transition between a paramagnetic metal and an antiferromagnetic insulator.
Antiferromagnetic and metal to insulator transitions in the ground state of two-dimensional half-filled and nearly half-filled Hubbard models with the nearest neighbor and the second nearest neighbor transfers (- t and t ′ , respectively) are studied by using the Green's function approach with the self-energy up to the second order in the coupling constant U . For a choice of the parameter value t ′ / t =0.2 the half-filled model undergoes the first order phase transition between paramagnetic metallic (PM) phase and antiferromagnetic insulator (AFI) phase at U / t =4.0 while the first order transition between PM and antiferromagnetic metallic (AFM) phases takes place for nearly half-filled band. The one-electron spectral density is calculated for the PM, AFM, and AFI phases near the phase boundaries. In the PM phase the quasi-particle dispersion indicates the band narrowing from the Hartree-Fock results and the flat band behavior as was indicated by previous stadies and was observed in high- T c cuprates. The quasi-particle dispersion in the AFM phase is seen to be close to the Hartree-Fock results.
A strong-coupling regime of the Hubbard model around half filling is investigated in the Hartree-Fock random-phase approximation. At half filling, besides a normal solution that gives rise to antiferromagnetic instability at ${T=T}_{\mathrm{N}}^{\mathrm{RPA}}\ensuremath{\sim}U,$ we find a solution representing the paramagnetic phase of the Mott insulator, for which we obtain the N\'eel temperature ${T}_{\mathrm{N}}\ensuremath{\sim}J$ in three-dimensional lattices. The solution is interpreted as the ferromagnetic band insulator depolarized by spin wave, the bound state of a particle-hole pair. Similarly, an anomalous metallic phase is derived from the Nagaoka ferromagnetic state. We evaluate TN{T}_{\mathrm{N}}TN​ as a function of doping concentration x to find that it vanishes at $x\ensuremath{\simeq}0.05$ for U/6t=4U/6t=4U/6t=4 in a simple cubic lattice.
We study the Hubbard model on the triangular lattice for general fillings by means of the slave-boson technique. In particular, we consider the stability regions of the paramagnetic, antiferromagnetic and linearly polarized spin-density-wave phases that are present at half-filling. The model presents a large anisotropy under particle or hole doping of the half-filled band, a consequence of the non-bipartite nature of the lattice. We also compute the helicity modulus in the antiferromagnetic phase, which characterizes the stiffness of the magnetic order.
The cluster slave-spin method is employed to investigate systematically the ground state properties of the Hubbard model on a square lattice with doping $\ensuremath{\delta}$ and coupling strength UUU being its parameters. At half-filling, a relation between the staggered magnetization MMM and the antiferromagnetic (AFM) gap ${\mathrm{\ensuremath{\Delta}}}_{\text{AFM}}$ is established in the small UUU limit to compare with that from the Hartree-Fock theory, and a first-order metal-insulator Mott transition in the paramagnetic state is substantiated, which is characterized by discontinuities and hystereses at UMott=10t{U}_{\text{Mott}}=10tUMott​=10t. The interaction Uc{U}_{c}Uc​ for the crossover in the AFM state, separating the weak- and strong-coupling regimes, is found to remain almost unchanged with large dopings, and smaller than UMott{U}_{\text{Mott}}UMott​ at half-filling because of long range AFM correlations. Finally, an overall phase diagram in the $U\ensuremath{-}\ensuremath{\delta}$ plane is presented, which is composed of four regimes: the AFM insulator at half-filling, the AFM metal with the compressibility $\ensuremath{\kappa}>0$ or $\ensuremath{\kappa}<0$, and the paramagnetic metal, as well as three phase transitions: (i) From the AFM metal to the paramagnetic metal, (ii) between the AFM metal phases with positive and negative $\ensuremath{\kappa}$, and (iii) separating the AFM insulating phase at $\ensuremath{\delta}=0$ from the AFM metal phase for $\ensuremath{\delta}>0$.