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 the effects of a bond-charge interaction (or correlated hopping) on the properties of the extended [i.e., with both on-site (U) and nearest-neighbor (V) repulsions] Hubbard model in one dimension at half-filling. Energy gaps and correlation functions are calculated by Lanczos diagonalization on finite systems. We find that, irrespective of the sign of the bond-charge interaction, X, the charge-density-wave (CDW) state is more robust than the spin-density-wave (SDW) state. A small bond-charge interaction term is enough to make the differences between the CDW and SDW correlation functions much less dramatic than when X=0. For X=t and fixed V2t (t is the uncorrelated hopping integral), there is an intermediate phase between a charge ordered phase and a phase corresponding to singly occupied sites, the nature of which we clarify: it is characterized by a succession of critical points, each of which corresponds to a different density of doubly occupied sites. We also find an unusual slowly decaying staggered spin-density correlation function, which is suggestive of some degree of ordering. No enhancement of pairing correlations was found for any X in the range examined. \textcopyright{} 1996 The American Physical Society.
We determine the spin and charge orders in the ground state of the doped two-dimensional (2D) Hubbard model in its simplest form, namely with only nearest-neighbor hopping and on-site repulsion. At half-filling, the ground state is known to be an antiferromagnetic Mott insulator. Doping Mott insulators is believed to be relevant to the superconductivity observed in cuprates. A variety of candidates have been proposed for the ground state of the doped 2D Hubbard model. A recent work employing a combination of several state-of-the-art numerical many-body methods established the stripe order as the ground state near
1/8 doping at strong interactions. In this paper, we apply one of these methods, the cutting-edge constrained-path auxiliary field quantum Monte Carlo (AFQMC) method with self-consistently optimized gauge constraints, to systematically study the model as a function of doping and interaction strength. With careful finite size scaling based on large-scale computations, we map out the ground state phase diagram in terms of its spin and charge order. We find that modulated antiferromagnetic order persists from near half-filling to about
1/5 doping. At lower interaction strengths or larger doping, these ordered states are best described as spin-density waves, with essentially delocalized holes and modest oscillations in charge correlations. When the charge correlations are stronger (large interaction or small doping), they are best described as stripe states, with the holes more localized near the node in the antiferromagnetic spin order. In both cases, we find that the wavelength in the charge correlations is consistent with so-called filled stripes.
We use a stochastic series-expansion quantum Monte Carlo method to study the phase diagram of the one-dimensional extended Hubbard model at half-filling for small to intermediate values of the on-site U and nearest-neighbor V repulsions. We confirm the existence of a novel, long-range-ordered bond-order-wave (BOW) phase recently predicted by Nakamura [J. Phys. Soc. Jpn. 68, 3123 (1999)] in a small region of the parameter space between the familiar charge-density-wave (CDW) state for $V\ensuremath{\gtrsim}U/2$ and the state with dominant spin-density-wave (SDW) fluctuations for $V\ensuremath{\lesssim}U/2.$ We discuss the nature of the transitions among these states and evaluate some of the critical exponents. Further, we determine accurately the position of the multicritical point, ${(U}_{m}{,V}_{m})=(4.7\ifmmode\pm\else\textpm\fi{}0.1,2.51\ifmmode\pm\else\textpm\fi{}0.04)$ (in energy units where the hopping integral is normalized to unity), above which the two continuous SDW-BOW-CDW transitions are replaced by one discontinuous (first-order) direct SDW-CDW transition. We also discuss the evolution of the CDW and BOW states upon hole doping. We find that in both cases the ground state is a Luther-Emery liquid, i.e., the spin gap remains but the charge gap existing at half-filling is immediately closed upon doping. The charge and bond-order correlations decay with distance r as ${r}^{\ensuremath{-}{K}_{\ensuremath{\rho}}},$ where ${K}_{\ensuremath{\rho}}$ is approximately
0.5 for the parameters we have considered. We also discuss advantages of using parallel tempering (or exchange Monte Carlo)---an extended ensemble method that we here combine with quantum Monte Carlo---in studies of quantum phase transitions.
Possible ordered states in the 2D extended Hubbard model with on-site (U>0) and nearest-neighbor (V) interaction are examined near half filling, with emphasis on the effect of finite V. First, the phase diagram at absolute zero is determined in the mean field approximation. For
V<0, a state where d_{x^{2}-y^{2}}-wave superconductivity (dSC), commensurate spin-density-wave (SDW) and
π-triplet pair coexist is seen to be stabilized. Here, the importance of
π-triplet pair on the coexistence of dSC and SDW is indicated. This coexistent state is hampered by the phase separation (PS), which is generally expected to occur in the presence of finite-range attractive interaction, but survives. For V>0, a state where commensurate charge-density-wave (CDW), SDW and ferromagnetism (FM) coexist is seen to be stabilized. Here, the importance of FM on the coexistence of CDW and SDW is indicated. Next, in order to examine the effects of fluctuation on each mean field ordered state, the renormalization group method for the special case that the Fermi level lies just on the saddle points, (
π,0) and (0,
π), is applied. The crucial difference from the mean field result is that superconductivity can arise even for U>0 and
V≥0, where the superconducting gap symmetry is d_{x^{2}-y^{2}}-wave for U>4V and s-wave for U<4V. Finally, the possibilities that the mean field coexistent states survive in the presence of fluctuation are discussed.