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International Journal of Modern Physics B

Spin and Charge Density Waves in the Extended Hubbard Model: A Slave Boson Approach

S. Caprara, M. Avignon, D. D. Sarma

Published Jul 10, 1997• 6 citations
Publisher

Abstract

We use the extended Hubbard model to investigate the properties of the charge- and spin-density-wave phases in the presence of a nearest-neighbors repulsion term in the framework of the slave-boson technique. We show that, contrary to Hartree–Fock results, an instablity may occur for sufficiently high values of the Hubbard repulsion, both in the spin- and charge-density-wave phase, which makes the system discontinuously jump to a phase with a smaller or zero wave amplitude. The limits of applicability of our approach are discussed and our results are compared with previous numerical analysis. The phase diagram of the model at half-filling is determined.

DOI
10.1142/s0217979297001064

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We use the extended Hubbard model to investigate the properties of the charge- and spin-density-wave phases in the presence of a nearest-neighbors repulsion term in the framework of the slave-boson technique. We show that, contrary to Hartree–Fock results, an instablity may occur for sufficiently high values of the Hubbard repulsion, both in the spin- and charge-density-wave phase, which makes the system discontinuously jump to a phase with a smaller or zero wave amplitude. The limits of applicability of our approach are discussed and our results are compared with previous numerical analysis. The phase diagram of the model at half-filling is determined.
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{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}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{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}t∣IH=0, only the charge-density-wave and spin-density-wave states are energetically stable. For nonzero t∣IH{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}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{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}t∣IH.
We examine the phase diagram of the half-filled one-dimensional extended Hubbard model using quantum information entropies within the density-matrix renormalization group. It is well known that there is a charge-density-wave phase at large nearest-neighbor and a small on-site Coulomb repulsion and a spin-density wave at small nearest-neighbor and large on-site Coulomb repulsion. At intermediate Coulomb interaction strength, we find an additional narrow region of a bond-order phase between these two phases. The phase transition line for the transition out of the charge-density-wave phase changes from first order at strong coupling to second order in a parameter regime where all three phases are present. We present evidence that the additional phase-transition line between the spin-density-wave and bond-order phases is infinite order. While these results are in agreement with recent numerical work, our study provides an independent unbiased means of determining the phase boundaries by using quantum information analysis, yields values for the location of some of the phase boundaries that differ from those previously found, and provides insight into the limitations of numerical methods in determining phase boundaries, especially those of infinite-order transitions.
We determine the ground-state phase diagram of the one-dimensional half-filled Hubbard model with on-site (nearest-neighbor) repulsive interaction U (V) and nearest-neighbor hopping t using the density-matrix renormalization group technique. Based on the results of the excitation gaps, Luttinger-liquid exponents, and bond-order-wave (BOW) order parameter, we confirm that the BOW phase appears in a substantial region between the charge-density-wave (CDW) and spin-density-wave phases. Each phase boundary is determined by multiple means and it allows us to make a cross-check on the validity of our estimations. We also find that the BOW-CDW transition changes from continuous to first order at the tricritical point (U(t),V(t)) approximately (5.89 t,3.10 t) and the BOW phase shrinks to zero at the critical end point (U(c),V(c)) approximately (9.25 t,4.76 t).
We study stripe orders of charge and spin density waves in the extended Hubbard model with the nearest-neighbor Coulomb repulsion V within the mean field approximation. We obtain V vs. T(temperature) phase diagram for the on-site Coulomb interaction U/t=8.0 and the filling n=0.8, here t is a nearest-neighbor transfer energy. Our result shows that the diagonal stripe spin density wave state (SDW) is stable for small V, but for large V the most stable state changes to a charge density wave-antiferromagnetic (CDW-AF) state. Especially we find at low temperature and for a certain range of value of V, a vertical stripe CDW-AF state becomes stable.
A slave-spin representation of fermion operators has recently been proposed for the half-filled single and multiband Hubbard model. We show that with the addition of a gauge variable, the formalism can be extended to finite doping. We solve the resulting spin problem using the cluster mean-field approximation. This approximation takes short-range correlations into account by exact diagonalization on the cluster, whereas long-range correlations beyond the size of clusters are treated at the mean-field level. In the limit where the cluster has only one site and the interaction strength UUU is infinite, this approach reduces to the Gutzwiller approximation. There are some qualitative differences when the size of the cluster is finite. We first compute the critical UUU for the Mott transition as a function of a frustrating nearest-neighbor interaction on lattices relevant for various correlated systems, namely, the cobaltates, the layered organic superconductors and the high-temperature superconductors. For the triangular lattice, we also study the extended Hubbard model with nearest-neighbor repulsion. In addition to a uniform metallic state, we find a $\sqrt{(3)}\ifmmode\times\else\texttimes\fi{}\sqrt{(3)}$ charge density wave in a broad doping regime, including commensurate ones. We find that in the large UUU limit, intersite Coulomb repulsion VVV strongly suppresses the single-particle weight of the metallic state.
Spin-wave excitations of quarter-filled spin-density-wave state, which coexists with charge ordering, have been studied for one-dimensional extended Hubbard model with the nearest-neighbor repulsive interaction (V) and next-nearest-neighbor one (V_2). We calculate dispersion relations for the acoustic and optical spin-wave within the random phase approximation. Our numerical calculation shows that energy spectrum of the acoustic branch is well described by a simple sine function form. In the states coexisting with charge-density-wave, the spin-wave velocity decreases with increasing V or V_2. Our numerical result, that velocity reduces to zero in the limit of large V or V_2, is analyzed in terms of a spin 1/2 Heisenberg model with effective antiferromagnetic exchange interaction.