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International Journal of Modern Physics B

PHASE DIAGRAM OF STRIPE ORDER IN THE EXTENDED HUBBARD MODEL

Masaru Kato

Published Dec 20, 2000• 1 citation
Publisher

Abstract

The extended Hubbard model with the nearest-neighbor Coulomb interaction on the square lattice is studied within the mean-field approximation. The stable states for 8×8 sites lattice with the periodic boundary condition and the electron filling n=0.875, as well as for 10×10 lattice and n=0.80, are obtained. For 8×8 lattice where quarter-filled straight stripe is expected because of the long-range Coulomb interaction, the cross stripe phases become stable.

DOI
10.1142/s0217979200004015

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The extended Hubbard model with the nearest-neighbor Coulomb interaction on the square lattice is studied within the mean-field approximation. The stable states for 8×8 sites lattice with the periodic boundary condition and the electron filling n=0.875, as well as for 10×10 lattice and n=0.80, are obtained. For 8×8 lattice where quarter-filled straight stripe is expected because of the long-range Coulomb interaction, the cross stripe phases become stable.
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.
Using extended dynamical mean-field theory and its combination with the GWGWGW approximation, we compute the phase diagrams and local spectral functions of the single-band extended Hubbard model on the square and simple cubic lattices, considering long-range interactions up to the third nearest neighbors. The longer-range interactions shift the boundaries between the metallic, charge-ordered insulating, and Mott insulating phases, and lead to characteristic changes in the screening modes and local spectral functions. Momentum-dependent self-energy contributions enhance the correlation effects and thus compete with the additional screening effect from longer-range Coulomb interactions. Our results suggest that the influence of longer-range intersite interactions is significant, and that these effects deserve attention in realistic studies of correlated materials.
Based on an unrestricted Gutzwiller approximation (GA) we investigate static stripe configurations with regard to the orientation and periodicity in an extended one-band Hubbard model. A negative ratio between next-nearest-neighbor and nearest-neighbor hoppings, ${t}^{\ensuremath{'}}/t,$ as appropriate for cuprates, favors partially filled (metallic) stripes for both vertical and diagonal configurations. At around optimal doping diagonal stripes and site centered (SC) and bond centered (BC) vertical stripes become degenerate suggesting strong lateral and orientational fluctuations. We find that within the GA the resulting phase diagram is in agreement with experiment whereas it is not in the Hartree-Fock approximation due to a strong overestimation of the stripe filling. Results are in agreement with previous calculations within the three-band Hubbard model but with the role of SC and BC stripes interchanged.
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.
A wide variety of experimental platforms, ranging from semiconductor quantum-dot arrays to moiré materials, have recently emerged as powerful quantum simulators for studying the Hubbard model and its variants. Motivated by these developments, here, we investigate a generalization of the Hubbard model which includes the effects of long-range Coulomb interactions. Working on finite-sized two-dimensional square and triangular lattices, we use exact diagonalization and density-matrix renormalization group calculations to probe the magnetic structure of the ground state in the strong-coupling regime, where UUU (the onsite repulsion) ≫\gg≫ ttt (the nearest-neighbor hopping). For small electron dopings above the half-filled antiferromagnet, we numerically uncover a rich variety of magnetically ordered states, and in conjunction with theoretical arguments, infer the phase diagram of the system as a function of doping and interaction strengths. In particular, we find that the inclusion of long-range Coulomb interactions induces an instability of high-spin states$\unicode{x2014}$such as the saturated Nagaoka ferromagnet$\unicode{x2014}$towards phase separation and stripe ordering. We also present proposals for the observation of some of our key findings in experiments that would shed further light on this paradigmatic strongly correlated system.