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Communications in Theoretical Physics

Finite Temperature Phase Diagram in the Half-Filled Extended Hubbard Model

Jian Zhong

Published Sep 1, 1989• 0 citations
Publisher

Abstract

The CDW-SDW transition in the half-filled extended Hubbard model is investigated with the broken-symmetry Hartree theory formulated in terms of the Bogoliubov variational approach. The finite temperature phase-diagram in the weak coupling regime is derived analytically with a model density of states. The results show that there exist charge-order and antiferromagnetic order, but no mixed phase exists at any temperatures.

DOI
10.1088/0253-6102/12/2/137

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The CDW-SDW transition in the half-filled extended Hubbard model is investigated with the broken-symmetry Hartree theory formulated in terms of the Bogoliubov variational approach. The finite temperature phase-diagram in the weak coupling regime is derived analytically with a model density of states. The results show that there exist charge-order and antiferromagnetic order, but no mixed phase exists at any temperatures.
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.
It has been well established that in both the weak- and strong-coupling limits, the phase transition from a spin-density wave (SDW) to a charge-density wave (CDW) in the half-filled extended-Hubbard model occurs precisely at the ratio U/Vc=2,{U/V}_{c}=2,U/Vc​=2, where U and V are the on-site and intersite electron-electron interactions, respectively. However, a recent density-matrix renormalization group (DMRG) study and a previous Monte Carlo simulation jointly suggest a picture that challenges the well-established weak-coupling result. Here, a careful calculation shows such a picture is questionable. In particular, it clarifies the DMRG result, even with a moderate number of states kept in the density matrix, agrees with both the weak- and strong-coupling findings, and predicts a CDW/SDW phase boundary smoothly links those two coupling limits. Possible sources of these previous failures are discussed.
By using the density matrix renormalization group technique, the phase diagram of the half-filling extended Hubbard model is investigated. The conventional order parameter, the two-site entanglement entropy, and the block-block entanglement entropy are analyzed in detail. According to the numerical results, in the weak coupling region, an intermediate bond-order-wave (BOW) phase is shown to exist indeed between the charge-density-wave (CDW) and the spin-density-wave (SDW) phases. The critical phase transition points are determined by the singularity of the first order derivative of two-site entanglement entropy. In strong coupling region, a direct phase transition occurs from SDW phase to CDW phase, and shows discontinuous (first order) character accompanied with energy level crossing. The numerical results support the phase diagram proposed previously by some authors Sengupta et al., (2002); Sandvik et al., (2004); Zhang, (2004). Therefore, the quantum entanglement is a sensitive tool to describe quantum phase transitions in strongly correlated electron systems.
The zero-temperature Hartree theory is extended to finite temperature to investigate the phase diagram, the order parameters, and the chemical potential of the negative-UUU extended Hubbard model in the weak-coupling regime. All the transitions between the charge-ordered, the singlet-superconducting, the mixed, and the nonordered phases are second order. In a special region of the parameter space, we discover the heat-charge-order process, which is the main source for the qualitative difference between the results of the present weak-coupling regime and the strong-coupling regime investigated earlier. Phenomena associated with the heat-charge order are compared to other work in which an effect similar to the heat-charge order exists.
In the weak-coupling regime, we analytically investigate phase diagram of a one-dimensional half-filled extended Hubbard model with nearest neighboring four-electron interaction (Q), in addition to the usual two-electron couplings (U,V>0). The additional four-electron coupling splits independent Gaussian and spin-gap transitions and also leads to the charge-gap transition. For the positive Q, the ground state exhibits three insulating phases, charge-density-wave (CDW), spin-density-wave (SDW) and bond-spin-density-wave (BSDW). For the negative Q, the phase diagram consists of five phases, which, besides the SDW and CDW phases, contain bond-charge-density-wave (BCDW), Luttinger liquid (LL) and Luther–Emery (LE) phases.
We have investigated the ground-state properties of the negative-UUU extended Hubbard model in the weak-coupling regime with the Hartree theory formulated in terms of the Bogoliubov variational approach. While the pure phases of charge order (CO), singlet superconducting (SS), and nonordered can be solved analytically with a model density of states, the mixed phase of CO and SS requires numerical computation. The ground-state phase diagram is derived, and the order parameters and the chemical potential of the ground state are analyzed. The characteristic difference between the behaviors of the SS and the CO order parameters at very weak coupling suggests a complicated competition between various interactions. Present results are compared with those derived earlier for the strong-coupling regime.