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arXiv:1007.4260 · Physical Review B

Itinerant ferromagnetic phase of the Hubbard model

Giuseppe Carleo, Saverio Moroni, Federico Becca, Stefano Baroni A

Published Feb 23, 2011• 38 citations
arXivHTMLPDF

Abstract

Using a quantum Monte Carlo technique, we provide strong evidence for the stability of a saturated ferromagnetic phase in the high-density regime of the two-dimensional infinite-$U$ Hubbard model. By decreasing the electron density, we observe a discontinuous transition to a paramagnetic phase, accompanied by a divergence of the susceptibility on the paramagnetic side. This behavior, resulting from a high degeneracy among different spin sectors, is consistent with an infinite-order phase transition. The remarkable stability of itinerant ferromagnetism renews the hope of describing this phenomenon within a purely kinetic mechanism and will facilitate the validation of experimental quantum simulators with cold atoms loaded in optical lattices.

DOI
10.1103/physrevb.83.060411

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Using a quantum Monte Carlo technique, we provide strong evidence for the stability of a saturated ferromagnetic phase in the high-density regime of the two-dimensional infinite-UUU Hubbard model. By decreasing the electron density, we observe a discontinuous transition to a paramagnetic phase, accompanied by a divergence of the susceptibility on the paramagnetic side. This behavior, resulting from a high degeneracy among different spin sectors, is consistent with an infinite-order phase transition. The remarkable stability of itinerant ferromagnetism renews the hope of describing this phenomenon within a purely kinetic mechanism and will facilitate the validation of experimental quantum simulators with cold atoms loaded in optical lattices.
The microscopic mechanism of itinerant ferromagnetism is a long-standing problem due to the lack of non-perturbative methods to handle strong magnetic fluctuations of itinerant electrons. We have non-pertubatively studied thermodynamic properties and magnetic phase transitions of a two-dimensional multi-orbital Hubbard model exhibiting ferromagnetic ground states. Quantum Monte-Carlo simulations are employed, which are proved in a wide density region free of the sign problem usually suffered by simulations for fermions. Both Hund's coupling and electron itinerancy are essential for establishing the ferromagnetic coherence. No local magnetic moments exist in the system as a priori, nevertheless, the spin channel remains incoherent showing the Curie-Weiss type spin magnetic susceptibility down to very low temperatures at which the charge channel is already coherent exhibiting a weakly temperature-dependent compressibility. For the SU(2) invariant systems, the spin susceptibility further grows exponentially as approaching zero temperature in two dimensions. In the paramagnetic phase close to the Curie temperature, the momentum space Fermi distributions exhibit strong resemblance to those in the fully polarized state. The long-range ferromagnetic ordering appears when the symmetry is reduced to the Ising class, and the Curie temperature is accurately determined. These simulations provide helpful guidance to searching for novel ferromagnetic materials in both strongly correlated ddd-orbital transition metal oxide layers and the ppp-orbital ultra-cold atom optical lattice systems.
We present different numerical calculations based on variational quantum Monte Carlo simulations supporting a ferromagnetic ground state for finite and small hole densities in the two-dimensional infinite-U Hubbard model. Moreover, by studying the energies of different total spin sectors, these calculations strongly suggest that the paramagnetic phase is unstable against a phase with a partial polarization for large hole densities delta approximately 0.40 with evidence for a second-order transition to the paramagnetic large doping phase.
Recent ultracold-atom experiments have observed ferromagnetic correlations in a geometrically tunable Fermi--Hubbard lattice at intermediate densities. Motivated by subsequent theoretical work that connected the low-density limit of the same model to the Mueller--Hartmann mechanism for itinerant ferromagnetism, we investigate the stability of ferromagnetism across a broad density range using the T-matrix approximation, a controlled approach in the dilute limit. We reproduce the ferromagnetic regime observed experimentally at intermediate densities and systematically compare finite-size and thermodynamic-limit calculations in the dilute regime. We find that the low-density ferromagnetic phase reported for the one-diagonal hopping lattice is strongly suppressed with increasing system size and disappears in the thermodynamic limit, indicating that it originates from finite-size effects. By contrast, low-density ferromagnetism remains robust in the square-lattice Hubbard model with hopping along both diagonal directions. We show that this qualitative difference cannot be explained by the degeneracy of the band minima alone, which occurs in both models. Instead, it is controlled by the singular behavior of the density of states at the band bottom: a weak divergence is insufficient to stabilize ferromagnetism, whereas a much stronger quasi-one-dimensional singularity supports a fully polarized ground state even in the dilute limit. Our results demonstrate that band-minimum degeneracy alone is not sufficient for low-density ferromagnetism and that the nature of the band-bottom density-of-states singularity ultimately controls its stability.
We investigate an SU(3) Fermi-Hubbard model on a hypercubic lattice at finite temperatures, combining dynamical mean-field theory with continuous-time quantum Monte Carlo simulations. Taking strong correlations into account carefully, we find a ferromagnetically ordered state, in which one of the three components becomes dominant, when holes are doped away from one-third filling. Furthermore, we demonstrate that this ferromagnetically ordered phase undergoes a first-order transition to a paramagnetic state. We clarify the stability of the ferromagnetically ordered state against interaction strength, hole doping, and temperatures. The relevance of generalized Nagaoka ferromagnetism is also addressed, by comparing the results on the Bethe lattice.
We studied ferromagnetism in the one-dimensional Hubbard model with doubly degenerate atomic orbitals by means of the density-matrix renormalization-group method and obtained the ground-state phase diagrams. It was found that ferromagnetism is stable from low to high (0<n<1.75)(0<n<1.75)(0<n<1.75) electron density when the interactions are sufficiently strong. The quasi-long-range order of triplet superconductivity coexists with the ferromagnetic order for a strong Hund coupling region, where the interorbital interaction ${U}^{\ensuremath{'}}\ensuremath{-}J$ is attractive. At quarter-filling (n=1),(n=1),(n=1), the insulating ferromagnetic state appears, accompanying orbital quasi-long-range order. For low densities (n<1),(n<1),(n<1), ferromagnetism occurs owing to the ferromagnetic exchange interaction caused by virtual hoppings of electrons, the same as in the quarter-filled system. This comes from separation of the charge and spin-orbital degrees of freedom in the strong-coupling limit. This ferromagnetism is fragile against variation of band structure. For high densities (n>1),(n>1),(n>1), the phase diagram of the ferromagnetic phase is similar to that obtained in infinite dimensions. In this case, the double exchange mechanism is operative for stabilizing the ferromagnetic order and this long-range order is robust against variation of the band dispersion. A partially polarized state appears in the density region $1.68\ensuremath{\lesssim}n\ensuremath{\lesssim}1.75$ and phase separation occurs for n just below the half-filling (n=2).(n=2).(n=2).