Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Physical review. B, Condensed matter

Single spin flip in the Nagaoka state: Problems with the Gutzwiller wave function

Thilo Kopp, Andrei E. Ruckenstein, Stefan Schmitt-Rink

Published Oct 1, 1990• 26 citations
Publisher

Abstract

We reconsider the problem of a single spin flip in the saturated ferromagnetic state (the Nagaoka state) of the infinite-U Hubbard model for a small (but finite) hole concentration. By studying the ground-state energy and the spin-flip spectral function, we argue that recently proposed Gutzwiller-like variational wave functions are not appropriate for studying this problem in one and two dimensions.

DOI
10.1103/physrevb.42.6850

Related papers

Ferromagnetism in the Hubbard model: Spin waves and instability of the Nagaoka state

P. Wurth, E. Müller‐Hartmann

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.

Annalen der Physik•Jan 1, 1995•13 citations

Infinite-U Hubbard model in the large-spin regime: exact diagonalization study

J C Anglès d'Auriac, Benoît Douçot, R. Rammal

The infinite-U Hubbard model on finite two-dimensional square lattices is investigated by the use of exact numerical diagonalization. Configurations with one spin flip away from the ferromagnetic state and up to three holes are studied for lattice sizes ranging from 4*4 to 12*12. For all these situations, the state with one spin flip is found to be more stable than the Nagaoka ferromagnetic state. The crystal momentum of the ground state in this spin sector depends on the system size. Systematic comparison with the Gutzwiller wavefunction shows that it reproduces qualitatively the crystal momentum dependence of the energy, but not the exact correlation between the spin flip and the holes.

Journal of Physics Condensed Matter•Jun 3, 1991•4 citations

Holes in the infinite-UHubbard model: Instability of the Nagaoka state

Yan Yan Fang, Andrei E. Ruckenstein, Elbio R. Dagotto +1 more

The solution of a three-body Schr\"odinger equation (for two holes and a spin flip) shows that in the U=\ensuremath{\infty} Hubbard model the saturated ferromagnetic state with two holes is unstable (in a finite volume and for periodic boundary conditions). The ground state carries a finite momentum, and becomes degenerate with the Nagaoka state in the thermodynamic limit. This is in agreement with exact diagonalization results for small lattices where, in addition, we find that the true two-hole ground state is a singlet. As a result, our notions of ferromagnetism in the Hubbard model might need revision.

Physical review. B, Condensed matter•Oct 1, 1989•79 citations

SINGLE SPIN FLIP IN THE INFINITE U HUBBARD MODEL: HUBBARD OPERATORS, THREE-BODY FADEEV EQUATIONS AND GUTZWILLER WAVE FUNCTIONS

Andrei E. Ruckenstein, Stefan Schmitt-Rink

We investigate a recently proposed many-body theory for composite (Hubbard) operators (A.E. Ruckenstein and S. Schmitt-Rink, Phys. Rev. B38, 7188 (1988)) in the context of the problem of a single spin flip in the saturated ferromagnetic state of the infinite U Hubbard model. We prove that the suitably defined strong coupling Hartree-Fock mean field theory leads to results identical to those obtained from the Gutzwiller wave function through exact evaluation of the kinetic energy. Most interestingly, we also show how exactly the same results can be obtained starting from the weak coupling limit by solving analytically the three-body t-matrix (Fadeev) equations in the infinite U limit. This work also sheds light on the physical content of slave boson approximations to which our approach was previously shown to be equivalent in the limit of large spin or orbital degeneracy. For the single spin flip problem we compare our results with those obtained by Bethe-Goldstone perturbation theory, Bethe Ansatz in one dimension, and exact diagonalization studies.

International Journal of Modern Physics B•Dec 1, 1989•27 citations

Ferromagnetism in the Hubbard model: instability of the Nagaoka state on the square lattice

Th. Hanisch, E. Müller‐Hartmann

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.

Annalen der Physik•Jan 1, 1993•41 citations

Nagaoka Ferromagnetism in the Two-Dimensional Infinite- U Hubbard Model

Federico Becca, Sandro Sorella

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.

arXiv:cond-mat/0102249•Physical Review Letters•Apr 9, 2001•58 citations
We reconsider the problem of a single spin flip in the saturated ferromagnetic state (the Nagaoka state) of the infinite-U Hubbard model for a small (but finite) hole concentration. By studying the ground-state energy and the spin-flip spectral function, we argue that recently proposed Gutzwiller-like variational wave functions are not appropriate for studying this problem in one and two dimensions.
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.
The infinite-U Hubbard model on finite two-dimensional square lattices is investigated by the use of exact numerical diagonalization. Configurations with one spin flip away from the ferromagnetic state and up to three holes are studied for lattice sizes ranging from 4*4 to 12*12. For all these situations, the state with one spin flip is found to be more stable than the Nagaoka ferromagnetic state. The crystal momentum of the ground state in this spin sector depends on the system size. Systematic comparison with the Gutzwiller wavefunction shows that it reproduces qualitatively the crystal momentum dependence of the energy, but not the exact correlation between the spin flip and the holes.
The solution of a three-body Schr\"odinger equation (for two holes and a spin flip) shows that in the U=\ensuremath{\infty} Hubbard model the saturated ferromagnetic state with two holes is unstable (in a finite volume and for periodic boundary conditions). The ground state carries a finite momentum, and becomes degenerate with the Nagaoka state in the thermodynamic limit. This is in agreement with exact diagonalization results for small lattices where, in addition, we find that the true two-hole ground state is a singlet. As a result, our notions of ferromagnetism in the Hubbard model might need revision.
We investigate a recently proposed many-body theory for composite (Hubbard) operators (A.E. Ruckenstein and S. Schmitt-Rink, Phys. Rev. B38, 7188 (1988)) in the context of the problem of a single spin flip in the saturated ferromagnetic state of the infinite U Hubbard model. We prove that the suitably defined strong coupling Hartree-Fock mean field theory leads to results identical to those obtained from the Gutzwiller wave function through exact evaluation of the kinetic energy. Most interestingly, we also show how exactly the same results can be obtained starting from the weak coupling limit by solving analytically the three-body t-matrix (Fadeev) equations in the infinite U limit. This work also sheds light on the physical content of slave boson approximations to which our approach was previously shown to be equivalent in the limit of large spin or orbital degeneracy. For the single spin flip problem we compare our results with those obtained by Bethe-Goldstone perturbation theory, Bethe Ansatz in one dimension, and exact diagonalization studies.
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 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.