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Magnetism and Phase Separation in the Ground State of the Hubbard Model

Robert Zitzler, Thomas Pruschke, R. Bulla

Published Jan 1, 2002• 52 citations
OpenAlex

Abstract

We discuss the ground state magnetic phase diagram of the Hubbard model off half filling within the dynamical mean-field theory. The effective single-impurity Anderson model is solved by Wilson's numerical renormalization group calculations, adapted to symmetry broken phases. We find a phase separated, antiferromagnetic state up to a critical doping for small and intermediate values of U, but could not stabilize a Neel state for large U and finite doping. At very large U, the phase diagram exhibits an island with a ferromagnetic ground state. Spectral properties in the ordered phases are discussed.

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Physical review. B, Condensed matter•Jul 15, 1996•25 citations
We discuss the ground state magnetic phase diagram of the Hubbard model off half filling within the dynamical mean-field theory. The effective single-impurity Anderson model is solved by Wilson's numerical renormalization group calculations, adapted to symmetry broken phases. We find a phase separated, antiferromagnetic state up to a critical doping for small and intermediate values of U, but could not stabilize a Neel state for large U and finite doping. At very large U, the phase diagram exhibits an island with a ferromagnetic ground state. Spectral properties in the ordered phases are discussed.
Magnetic properties of Hubbard model have been studied extensively. A theoretical description of these states, however, is not straight forward within conventional mean-field approach due to the electron correlation effects. Here we provide a slave spin theory of the magnetic states in the single band Hubbard model. By introducing an additional decomposition of the on-site Coulomb interaction in the magnetic channel in both the slave spin and the fermionic spinon sectors, we show a magnetic solution with renormalized quasiparticle spectral weight can be stabilized at both half-filling and finite doping. By comparing the energies of antiferromagnetic and ferromagnetic states, we provide a ground-state phase diagram for generic electron filling. We further discuss possible generalization of the slave-spin method.
The authors use an unrestricted self-consistent mean-field approach to the one-dimensional periodic Hubbard model to study its ground-state phase diagram. Their approach allows one to incorporate spin and electron correlations as well as spin and charge fluctuations. The authors find that a homogeneous antiferromagnetic state exists only at half-filling, where the state is also insulating. Off half-filling, it was found that the ground state of the Hubbard model consists of clusters with different magnetic and charge properties. For certain values of the parameters of the system the cluster formation develops to a full phase separation. The effects of the intersite repulsive or attractive interaction on the ground-state properties were also examined. Implications of the authors results for the existence of a superconducting ground state as well as comparison with other studies will be briefly discussed.
Two-dimensional density-matrix renormalization group method is employed to examine the ground-state phase diagram of the Hubbard model on the triangular lattice at half-filling. The calculation reveals two discontinuities in the double occupancy with increasing the repulsive Hubbard interaction UUU at ${U}_{\mathrm{c}1}\ensuremath{\sim}7.8t$ and ${U}_{\mathrm{c}2}\ensuremath{\sim}9.9t$ (ttt being the hopping integral), indicating that there are three phases separated by first-order transitions. The absence of any singularity in physical quantities for $0\ensuremath{\le}U<{U}_{\mathrm{c}1}$ implies a metallic phase in this regime. For U>Uc2U>{U}_{\mathrm{c}2}U>Uc2​, the local spin density induced by an applied pinning magnetic field exhibits a three sublattice feature, which is compatible with the ${120}^{\ensuremath{\circ}}$ N\'eel-ordered state realized in the limit of $U\ensuremath{\rightarrow}\ensuremath{\infty}$. For Uc1<U<Uc2{U}_{\mathrm{c}1}<U<{U}_{\mathrm{c}2}Uc1​<U<Uc2​, a response to the applied pinning magnetic field is comparable to that in the metallic phase with a relatively large spin correlation length, but showing neither valence bond nor chiral magnetic order, which therefore resembles gapless spin liquid. However, the spin structure factor for the intermediate phase exhibits the maximum at the K\mathrm{K}K and ${\mathrm{K}}^{\ensuremath{'}}$ points in the momentum space, which is not compatible to spin liquid with a large spinon Fermi surface. The calculation also finds that the pairing correlation function monotonically decreases with increasing UUU and thus the superconductivity is unlikely in the intermediate phase.
The Hartree-Fock ground-state phase diagram of the one-dimensional Hubbard model is calculated in the μ−Uμ-Uμ−U plane, restricted to phases with no charge density modulation, extending the results presented in cond-mat/9511116. This allows antiferromagnetism, saturated ferromagnetism, spiral spin density waves and a collinear structure with unit cell ↑↑↓↓\uparrow \uparrow \downarrow \downarrow↑↑↓↓. The spiral phase is unstable against phase separation near quarter-, half- and three-quarter-filling. For large UUU this occurs at hole (or electron) doping of (3t/π2U)1/3(3t/π^{2}U)^{1/3}(3t/π2U)1/3 from half filling.
Tle Hartree-Fock ground-state phase diagram of the one-dimensional Hubbard model is calculated in the μ-U plane, restricted to phases with no charge density modulation.This allows antiferromagnetism, saturated ferromagnetism, spiral spin density waves and a collinear structure with unit cell H e i s e n b e r g s .T h e s p i r a l p h a s e i s u n s t a b l e a g a i n s t p h a s e s e p a r a t i o n n e a r quarter-, half-and three-quarter-flling.For large U this occurs at hole (or electron) doping of (3t/π2U)1/3 from half-filling.
The Hubbard model including nearest neighbor interaction is studied at T=0 on a d-dimensional hypercubic lattice (d\ensuremath{\gg}1) close to half filling. For the model in d=\ensuremath{\infty} we derive the exact result that the ground state at weak coupling is phase separated. Results for lower dimensions are then derived in a 1/d expansion. To obtain these results we first consider possible second order transitions. One then finds that the broken-symmetry phase near half filling is incommensurate. However, the corresponding ground state has negative compressibility and is hence thermodynamically unstable. A Maxwell construction is used to construct the actual phase separated ground state, which consists of homogeneous lower-density and antiferromagnetic or charge density wave higher-density regions. It is shown that both the doping level below which phase separation occurs and the order parameter differ from the corresponding Hartree results by a renormalization factor q of order unity. This renormalization factor q is calculated systematically up to O(1/d) in a 1/d expansion and turns out to be identical to the renormalization factor previously calculated for the low-temperature thermodynamics at half filling. \textcopyright{} 1996 The American Physical Society.