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arXiv:1102.3053 · Physical Review A

Ground-state phase diagram of the repulsive SU(3) Hubbard model in the Gutzwiller approximation

Ákos Rapp, Achim Rosch

Published May 3, 2011• 20 citations
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Abstract

We perform a variational Gutzwiller calculation to study the ground state of the repulsive SU(3) Hubbard model on the Bethe lattice with infinite coordination number. We construct a ground-state phase diagram focusing on phases with a two-sublattice structure and find five relevant phases: (1) a paramagnet, (2) a completely polarized ferromagnet, (3) a two-component antiferromagnet where the third component is depleted, (4) a two-component antiferromagnet with a metallic third component (an ``orbital selective'' Mott insulator), and (5) a density-wave state where two components occupy dominantly one sublattice and the last component the other one. First-order transitions between these phases lead to phase separation. A comparison of the SU(3) Hubbard model to the better-known SU(2) model shows that the effects of doping are completely different in the two cases.

DOI
10.1103/physreva.83.053605

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We perform a variational Gutzwiller calculation to study the ground state of the repulsive SU(3) Hubbard model on the Bethe lattice with infinite coordination number. We construct a ground-state phase diagram focusing on phases with a two-sublattice structure and find five relevant phases: (1) a paramagnet, (2) a completely polarized ferromagnet, (3) a two-component antiferromagnet where the third component is depleted, (4) a two-component antiferromagnet with a metallic third component (an ``orbital selective'' Mott insulator), and (5) a density-wave state where two components occupy dominantly one sublattice and the last component the other one. First-order transitions between these phases lead to phase separation. A comparison of the SU(3) Hubbard model to the better-known SU(2) model shows that the effects of doping are completely different in the two cases.
The variational approach initiated by Gutzwiller is extended to include antiferromagnetism. A simplified assumption corresponding to that adopted by him is used in order to evaluate the ground state energy of the Hubbard model and to draw the phase diagram similar to those constructed by Penn on the basis of the Hartree-Fock approximation. It is found that the antiferromagnetic state in the phase diagram is restricted to a narrow region bounded by threshold values for both the coupling constant and electron density. For sufficiently large intraatomic repulsion paramagnetic state becomes more stable than antiferromagnetic state except for the case of one electron per site. The phase transition between paramagnetic and antiferromagnetic states is of first order and the coexistence of these two states with different density occurs.
We use the correlated-random-field approximation and a conditional coherent-potential approximation to study the ground-state phase diagram of the one-band Hubbard model. Our approach incorporates both spin and electron correlations. It has been found that for certain values of the parameters of the model, in addition to paramagnetic, ferromagnetic, antiferromagnetic, and spin-glass or spin-liquid phases found in our earlier studies, a phase-separated phase is found to be favored for 0.7\ensuremath{\le}n\ensuremath{\le}1.0 and U/B\ensuremath{\ge}2 in good agreement with results obtained in the t-J model using the technique of the 1/N expansion. The present approach also allows one to watch the dependence of the electron density of states on the number of electrons per site and gives a single physical picture for the occurrence of a metal-insulator transition. Implications of these results for the existence of superconducting ground state as well as comparison to other studies will be briefly discussed.
The SU(N)\mathrm{SU}(N)SU(N) Hubbard model is a natural extension of the SU(2)\mathrm{SU}(2)SU(2) model. However, even the N=3N=3N=3 case remains poorly understood. We report a ground-state phase diagram of the square lattice SU(3)\mathrm{SU}(3)SU(3) Fermi-Hubbard model. Using a backflow Ansatz, we identify strong signatures of a Mott transition and a subsequent magnetic transition, and the suppression of a previously predicted magnetic phase. We study the hole-doped model, identifying a transition from magnetic to paramagnetic behavior in the strong-coupling regime. Our findings offer a different ground-state picture. More broadly, our work suggests a path to study general SU(N)\mathrm{SU}(N)SU(N) Hubbard models with arbitrary filling and geometry.
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.
Mean-field ground-state phase diagram of the t−t′{t-t^\prime}t−t′ ionic-Hubbard chain
Ground state (GS) phase diagram of the one dimensional repulsive Hubbard model with both nearest neighbor (ttt) and next-nearest-neighbor (t′t^{\prime}t′) hopping and a staggered potential (ΔΔΔ) is determined in the case of half-filled band and zero net magnetization within the mean-field theory. The model may be realized by cold atoms in engineered optical lattices. Connection between the peculiarities of the GS phase diagram of the interacting system and the topological Lifshitz transition in GS of free particle chain is discussed. The mean-field Hamiltonian is given by six order parameters, which are determined self-consistently. It is shown that the GS phase diagram {\em predominantly} consists of insulating phases characterized by coexistence of the long-range ordered modulations of the charge- (I) and antiferromagnetic (AF) spin-density with wavelengths equal to two and/or four lattice units. Below the Lifshitz transition, the GS phase diagram is qualitatively similar to that of the standard (t′=0{t^{\prime}=0}t′=0) ionic Hubbard model. After the Lifshitz transition, charge- and spin-density modulations emerge within the sublattices and have wavelengths equal to four lattice units. For moderate values of the on-site repulsion the insulating phases are characterized by the presence of I and AF modulations coexisting with ferrimagnetic spin- and charge-density modulations within the one sublattice, or by the coexistence of I order and additional AF spin density modulation only within the sublattice with high ionic potential. At large repulsion the insulating phase with AF order inside both sublattices and remaining small ionicity left between the sublattices is realized.
We investigate the ground-state phase diagram of the two-dimensional Hubbard model based on the optimization variational Monte Carlo method. We use a wave function that is an off-diagonal type given as ψ=exp⁡(−λK)PGψ0ψ=\exp(-λK)P_Gψ_0ψ=exp(−λK)PG​ψ0​, where ψ0ψ_0ψ0​ is a one-particle state, PGP_GPG​ is the Gutzwiller operator, KKK is the kinetic operator, and λλλ is a variational parameter. The many-body effect plays an important role as an origin of spin correlation and superconductivity in correlated electron systems. We examine the competition between the antiferromagnetic state and superconducting state by varying the Coulomb repulsion UUU, the band parameter t′t't′ and the electron density nen_ene​. We show a phase diagram that includes superconducting and antiferromagnetic phases and that t′=0t'=0t′=0 is most favorable for superconductivity.