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arXiv:cond-mat/9501116 · Annalen der Physik

Ferromagnetism in the Hubbard model: instability of the Nagaoka state on the triangular, honeycomb and kagome lattices

Thoralf Hanisch, B. Kleine, Afra Ritzl, E. Müller‐Hartmann

Published Jan 1, 1995• 56 citations
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Abstract

Abstract In order to analyse the lattice dependence of ferromagnetism in the two‐dimensional Hubbard model we investigate the instability of the fully polarised ferromagnetic ground state (Nagaoka state) on the triangular, honeycomb and kagome lattices. We mainly focus on the local instability, applying single spin flip variational wave functions which include majority spin correlation effects. The question of global instability and phase separation is addressed in the framework of Hartree‐Fock theory. We find a strong tendency towards Nagaoka ferromagnetism on the non‐bipartite lattices (triangular, kagome) for more than half filling. For the triangular lattice we find the Nagaoka state to be unstable above a critical density of n = 1.887 at U = ∞, thereby significantly improving former variational results. For the kagome lattice the region where ferromagnetism prevails in the phase diagram widely exceeds the flat band regime. Our results even allow the stability of the Nagaoka state in a small region below half filling. In the case of the bipartite honeycomb lattice several disconnected regions are left for a possible Nagaoka ground state.

DOI
10.1002/andp.19955070405

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Abstract In order to analyse the lattice dependence of ferromagnetism in the two‐dimensional Hubbard model we investigate the instability of the fully polarised ferromagnetic ground state (Nagaoka state) on the triangular, honeycomb and kagome lattices. We mainly focus on the local instability, applying single spin flip variational wave functions which include majority spin correlation effects. The question of global instability and phase separation is addressed in the framework of Hartree‐Fock theory. We find a strong tendency towards Nagaoka ferromagnetism on the non‐bipartite lattices (triangular, kagome) for more than half filling. For the triangular lattice we find the Nagaoka state to be unstable above a critical density of n = 1.887 at U = ∞, thereby significantly improving former variational results. For the kagome lattice the region where ferromagnetism prevails in the phase diagram widely exceeds the flat band regime. Our results even allow the stability of the Nagaoka state in a small region below half filling. In the case of the bipartite honeycomb lattice several disconnected regions are left for a possible Nagaoka ground state.
Abstract The instability of the fully polarized ferromagnetic ground state (Nagaoka state) of the Hubbard model on the square lattice is investigated. We use single spin flip variational wave functions including majority spin correlation effects and calculate spin flip energies in the thermodynamic limit. With very local wave functions and with moderate numbers of variational parameters we reproduce the best known estimate for the critical hole density δcr = 0.29 and we obtain an estimate of Ucr = 63 t for the critical coupling which is considerably better than the best estimate of Ucr = 42 t previously known. The simplicity of our wave functions makes the physical origin of the various aspects of the instability particularly transparent.
We investigate the instability of the saturated ferromagnetic ground state (Nagaoka state) in the Hubbard model on various lattices in dimensions d=2d=2d=2 and d=3d=3d=3. A variational resolvent approach is developed for the Nagaoka instability both for $U=\ensuremath{\infty}$ and for $U<\ensuremath{\infty}$ which can easily be evaluated in the thermodynamic limit on all common lattices. Our results significantly improve former variational bounds for a possible Nagaoka regime in the ground-state phase diagram of the Hubbard model. We show that a pronounced particle-hole asymmetry in the density of states and a diverging density of states at the lower band edge are the most important features in order to stabilize Nagaoka ferromagnetism, particularly in the low-density limit.
Abstract We discuss two single spin flip variational wave functions describing spin wave excitations which were proposed earlier by Shastry, Krishnamurthy and Anderson (SKA) and by Basile and Elser (BE), respectively, in order to investigate the instability of the fully polarized ferromagnetic state (Nagaoka state) in the infinite U Hubbard model. We calculate the energy of these variational states for the square lattice and for multiple chains. At the zone boundary in the vicinity of the point (0, π) the spin wave energy is reduced substantially by the binding of the spin up hole to the flipped down spin. For the square lattice this leads to a critical hole density of δcr = 0.407 for the SKA spin wave and of δcr = 0.322 for the BE spin wave which implies remarkable improvements in comparison to the corresponding scattering states investigated previously.
We study the hard-core Fermi-Hubbard model in the crossover between square and triangular lattices near half-filling. As was recognized by Nagaoka in the 1960s, on the square lattice the presence of a single hole leads to ferromagnetic spin ordering. On the triangular lattice, geometric frustration instead leads to a spin-singlet ground state, which can be associated with a 120-degree spiral order. On lattices which interpolate between square and triangular, there is a phase transition at which the ferromagnetic order becomes unstable to a spin spiral. We model this transition, finding the exact location of the spin-spiral instability.
The Kagome lattice Fermi-Hubbard model is one of the most physically rich, and at the same time most challenging, models to study in strongly-correlated physics. Among its special features are geometric frustration and a flat energy band that create conditions favorable to ferromagnetism near the band insulating limit. Here, we utilize two exact finite-temperature methods, the numerical linked-cluster expansion and the determinant quantum Monte Carlo, to study the extent as well as doping and interaction dependence of ferromagnetic correlations and other thermodynamic properties of the model. We find that repulsive interactions enhance ferromagnetic correlations at high electron densities and that increasing the interaction strength, extends the region with strong ferromagnetic correlations towards half filling, smoothly connecting it to Nagaoka ferromagnetism near the Mott insulating region. We also use the charge compressibility to obtain an accurate estimate for the critical interaction strength for the metal-insulator transition at half filling. These results improve our understanding of the magnetic tendencies of the model away from half filling and pave the way for further studies, including with ultracold atoms in optical lattices.