We study the phase diagram of the extended Hubbard model on the kagome lattice at 1/3 filling. By combining a configuration interaction approach to an unrestricted Hartree-Fock, we construct an effective Hamiltonian which takes the correlations back on top of the mean-field solution. We obtain a rich phase diagram with, in particular, the presence of two original phases. The first one consists of local polarized droplets of metal standing on the hexagons of the lattice and an enlarged kagome charge order, inversely polarized, on the remaining sites. The second, obeying a local ice-rule type constraint on the triangles of the kagome lattice, is driven by an antiferromagnetic coupling of spins and is constituted of disconnected six-spin singlet rings. The nature and stability of these phases at large interactions are studied via trial wave functions and perturbation theory.
We consider an extended Hubbard model of interacting fermions on a lattice. The fermion kinetic energy corresponds to a tight-binding Hamiltonian with nearest-neighbor (-t) and next-nearest-neighbor (
t∣IH) hopping matrix elements. In addition to the on-site Hubbard interaction (U) we also consider a nearest-neighbor repulsion (V). We obtain the zero-temperature phase diagram of our model within the Hartree-Fock approximation. We consider ground states having charge- and spin-density-wave ordering as well as states with orbital antiferromagnetism or spin nematic order. The latter two states correspond to particle-hole binding with ${\mathrm{d}}_{{\mathrm{x}}^{2}\mathrm{\ensuremath{-}}{\mathrm{y}}^{2}}$ symmetry in the charge and spin channels, respectively. For
t∣IH=0, only the charge-density-wave and spin-density-wave states are energetically stable. For nonzero
t∣IH, we find that orbital antiferromagnetism (or spin nematic) order is stable over a finite portion of the phase diagram at weak coupling. This region of stability is seen to grow with increasing values of
t∣IH.
We study electrons hopping on a kagome lattice at third filling described by an extended Hubbard Hamiltonian with on-site and nearest-neighbor repulsions in the strongly correlated limit. As a consequence of the commensurate filling and the large interactions, each triangle has precisely two electrons in the effective low-energy description, and these electrons form chains of different lengths. The effective Hamiltonian includes the ring exchange around the hexagons as well as the nearest-neighbor Heisenberg interaction. Using large-scale exact diagonalization, we find that the effective model exhibits two phases: If the charge fluctuations are small, the magnetic fluctuations confine the charges to short loops around hexagons, yielding a gapped charge-ordered phase. When the charge fluctuations dominate, the system undergoes a quantum phase transition to a resonating plaquette phase with ordered spins and gapless spin excitations. We find that a peculiar conservation law is fulfilled: the electron in the chains can be divided into two sublattices, and this division is conserved by the ring exchange term.
Abstract Using a mean-field theory based upon Hartree—Fock approximation, we theoretically investigate the competition between the metallic conductivity, spin order and charge order phases in a two-dimensional half-filled extended Hubbard model on anisotropic triangular lattice. Bond order, double occupancy, spin and charge structure factor are calculated, and the phase diagram of the extended Hubbard model is presented. It is found that the interplay of strong interaction and geometric frustration leads to exotic phases, the charge fluctuation is enhanced and three kinds of charge orders appear with the introduction of the nearest-neighbor interaction. Moreover, for different frustrations, it is also found that the antiferromagnetic insulating phase and nonmagnetic insulating phase are rapidly suppressed, and eventually disappeared as the ratio between the nearest-neighbor interaction and on-site interaction increases. This indicates that spin order is also sensitive to the nearest-neighbor interaction. Finally, the single-site entanglement is calculated and it is found that a clear discontinuous of the single-site entanglement appears at the critical points of the phase transition.
We consider a modified extended Hubbard model (EHM) which, in addition to the on-site repulsion U and nearest-neighbor repulsion V, includes polarization effects in second-order perturbation theory. The model is equivalent to an EHM with renormalized U plus a next-nearest-neighbor repulsion term. Using a method based on topological quantum numbers (charge and spin Berry phases), we generalize to finite hopping t the quantum phase diagram in one dimension constructed by van den Brink et al. [Phys. Rev. Lett. 75, 4658 (1995)]. At hopping
t=0 there are two charge density-wave phases, one spin density-wave phase, and one intermediate phase with charge and spin ordering, depending on the parameter values. At $t\ensuremath{\ne}0$ the nature of each phase is confirmed by studying correlation functions. However, in addition to the strong-coupling phases, a small region with bond ordering appears. The region occupied by the intermediate phase first increases and then decreases with increasing t, until it finally disappears for t of the order but larger than U. For small t, the topological transitions agree with the results of second-order perturbation theory.
We investigate the magnetic orders and excitations in a half-filled Hubbard model that continuously interpolates between the Lieb and kagome lattices. Using the self-consistent Hartree-Fock approximation combined with the Bethe-Salpeter equation in the random phase approximation, we map the U − t ′ phase diagram of the Lieb-kagome lattices and compute real-frequency transverse spin susceptibilities, i.e., the magnon spectra. Dynamical mean-field theory and exact diagonalization are used as complementary checks of static magnetic phases. In particular, besides gapless Goldstone magnons, the symmetry-broken ferrimagnetic and antiferromagnetic phases also exhibit gapped Higgs magnon bands, which originate from amplitude fluctuations in the order parameter characterizing spontaneous symmetry breaking.
Motivated by the recent discovery of metallic kagome lattice materials,
AV3Sb5 (A = K, Rb, Cs), we investigate the ground state of the half-filled kagome lattice Hubbard model by employing the density-matrix renormalization group method. We identify a metal-insulator transition around $U\ensuremath{\sim}{U}_{c1}$ and four distinct phases as a function of
U/t on narrower cylinders, including a metallic phase at
U<Uc1, two insulating intermediate phases (a translational symmetry breaking phase at
Uc1<U<Uc2 and a quantum spin liquid phase at
Uc2<U<Uc3), and the kagome antiferromagnetic phase at
U>Uc3. We confirm that the translational symmetry breaking phase is robust for wider cylinders, while the quantum spin liquid phase is smoothly connected to the kagome antiferromagnetic phase with increasing the system width. Moreover, our numerical observations indicate a continuous metal-insulator transition at
Uc1 whose nature is consistent with Slater's transition scenario. The magnetic phase transition between two insulating intermediate phases at
Uc2 is first order. Our findings may provide insights into exotic kagome lattice materials.