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Physical review. B, Condensed matter

Extended Hubbard model at strong coupling

P. G. J. van Dongen

Published Mar 15, 1994• 103 citations
Publisher

Abstract

The half-filled extended Hubbard model (containing nearest-neighbor interaction) is considered at strong coupling in fourth-order perturbation theory. The ground-state energies in the spin- and charge-density-wave phases and the resulting phase diagram are calculated in various dimensions: here d=1, d=\ensuremath{\infty}, high dimensions (d\ensuremath{\gg}1), and d=2,3 are discussed separately. In d=1 it is shown that, for U\ensuremath{\gtrsim}6, fourth-order perturbation theory leads to excellent agreement with existing Monte Carlo data. Second-order perturbation theory alone is valid only at unrealistically large values of U and V. In d=\ensuremath{\infty}, one needs fourth-order perturbation theory to obtain any nontrivial contribution to the phase diagram at all. As a consequence the fourth-order corrections to the ground-state energy and to the phase diagram are large also in d=2,3. The formalism used to obtain the perturbative expansion is discussed in an appendix.

DOI
10.1103/physrevb.49.7904

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The half-filled extended Hubbard model (containing nearest-neighbor interaction) is considered at strong coupling in fourth-order perturbation theory. The ground-state energies in the spin- and charge-density-wave phases and the resulting phase diagram are calculated in various dimensions: here d=1, d=\ensuremath{\infty}, high dimensions (d\ensuremath{\gg}1), and d=2,3 are discussed separately. In d=1 it is shown that, for U\ensuremath{\gtrsim}6, fourth-order perturbation theory leads to excellent agreement with existing Monte Carlo data. Second-order perturbation theory alone is valid only at unrealistically large values of U and V. In d=\ensuremath{\infty}, one needs fourth-order perturbation theory to obtain any nontrivial contribution to the phase diagram at all. As a consequence the fourth-order corrections to the ground-state energy and to the phase diagram are large also in d=2,3. The formalism used to obtain the perturbative expansion is discussed in an appendix.
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.
The half-filled extended Hubbard model (including nearest-neighbor interaction) is considered in perturbation theory at weak coupling on a d-dimensional hypercubic lattice (d\ensuremath{\gtrsim}3). It is shown that the exact critical temperature and the exact order parameter in the weak-coupling limit 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. The results depend sensitively on dimension and on the relative strength of the nearest-neighbor interaction. The renormalization factor in d=3, estimated from the 1/d expansion, is q\ensuremath{\simeq}0.282 for the pure Hubbard model, q\ensuremath{\simeq}0.179 near the spin-density-wave to charge-density-wave transition and q\ensuremath{\simeq}0.830 in the limit of pure nearest-neighbor interaction.
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.
We reexamine the ground-state phase diagram of the one-dimensional half-filled Hubbard model with on-site and nearest-neighbor repulsive interactions. We calculate second-order corrections to coupling constants in the weak-coupling renormalization-group approach ( g-ology) to show that the bond-charge-density-wave (BCDW) phase exists for weak couplings in between the charge-density-wave (CDW) and spin-density-wave (SDW) phases. We find that the umklapp scattering of parallel-spin electrons destabilizes the BCDW state and gives rise to a bicritical point where the CDW-BCDW and SDW-BCDW continuous-transition lines merge into the CDW-SDW first-order transition line.
A one-dimensional model of interacting electrons with on-site U, nearest-neighbor V, and correlated-hopping interaction T∗{T}^{*}T∗ is studied at half filling using the continuum-limit field theory approach. The ground-state phase diagram is obtained for a wide range of coupling constants. In addition to the insulating spin- and charge-density wave phases for large U and V, respectively, we identify bond-located ordered phases corresponding to an enhanced Peierls instability in the system for ${T}^{*}>0, |U\ensuremath{-}2V|<{8T}^{*}/\ensuremath{\pi}$ and to a staggered magnetization located on bonds between sites for ${T}^{*}<0, |U\ensuremath{-}2V|<8|{T}^{*}|/\ensuremath{\pi}.$ The general ground-state phase diagram including insulating, metallic, and superconducting phases is discussed.