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arXiv:0711.0318 · Journal of Optoelectronics and Advanced Materials

Exact solution of the extended Hubbard model in the atomic limit on the Bethe Lattice

Ferdinando Mancini, Francesco Paolo Mancini, Adele Naddeo

Published Nov 2, 2007• 3 citations
arXivHTMLPDF

Abstract

We study the phase diagram at finite temperature of a system of Fermi particles on the sites of the Bethe lattice with coordination number z and interacting through onsite U and nearest-neighbor V interactions. This is a physical realization of the extended Hubbard model in the atomic limit. By using the equations of motion method, we exactly solve the model. For an attractive intersite potential, we find, at half filling, a phase transition towards a broken particle-hole symmetry state. The critical temperature, as a function of the relevant parameters, has a re-entrant behavior as already observed in the equivalent spin-1 Ising model on the Bethe lattice.

DOI
10.48550/arxiv.0711.0318

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We study the phase diagram at finite temperature of a system of Fermi particles on the sites of the Bethe lattice with coordination number z and interacting through onsite U and nearest-neighbor V interactions. This is a physical realization of the extended Hubbard model in the atomic limit. By using the equations of motion method, we exactly solve the model. For an attractive intersite potential, we find, at half filling, a phase transition towards a broken particle-hole symmetry state. The critical temperature, as a function of the relevant parameters, has a re-entrant behavior as already observed in the equivalent spin-1 Ising model on the Bethe lattice.
We study the influence of an external magnetic field h on the phase diagram of a system of Fermi particles living on the sites of a Bethe lattice with coordination number z and interacting through on-site U and nearest-neighbor V interactions. This is a physical realization of the extended Hubbard model in the narrow-band limit. Our results establish that the magnetic field may dramatically affect the critical temperature below which a long-range charge ordered phase is observed, as well as the behavior of physical quantities, inducing, for instance, magnetization plateaus in the magnetization curves. Relevant thermodynamic quantities - such as the specific heat and the susceptibility - are also investigated at finite temperature by varying the on-site potential, the particle density and the magnetic field.
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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 present the exact solution of the one-dimensional extended Hubbard model in the atomic limit within the Green's function and equations of motion formalism. We provide a comprehensive and systematic analysis of the model by considering all the relevant response and correlation functions as well as thermodynamic quantities in the whole parameters space. At zero temperature we identify four phases in the plane (U,n) ( U is the on-site potential and n is the filling) and relative phase transitions as well as different types of charge ordering. These features are endorsed by investigating at T=0 the chemical potential and pertinent local correlators, the particle and double occupancy correlation functions, the entropy, and by studying the behavior in the limit T-->0 of the charge and spin susceptibilities. A detailed study of the thermodynamic quantities is also presented at finite temperature. This study evidences that a finite-range order persists for a wide range of the temperature, as shown by the behavior of the correlation functions and by the two-peak structure exhibited by the charge susceptibility and by the entropy. Moreover, the equations of motion formalism, together with the use of composite operators, allows us to exactly determine the set of elementary excitations. As a result, the density of states can be determined and a detailed analysis of the specific heat allows for identifying the excitations and for ascribing its two-peak structure to a redistribution of the charge density.
The extended Falicov-Kimball model is analyzed exactly in the ground state at half filling in the limit of large dimensions. In the model the on-site and the intersite density-density interactions between all particles are included. We determined the model's phase diagram and found a discontinuous transition between two different charge-ordered phases. Our analytical calculations show that the ground state of the system is insulating for any nonzero values of the interaction couplings. We also show that the dynamical mean-field theory and the static broken-symmetry Hartree-Fock mean-field approximation give the same results for the model at zero temperature. In addition, we prove using analytical expressions that at infinitesimally small, but finite, temperatures the system can be metallic.
The model of localized fermions on the triangular lattice is analyzed in means of the Monte Carlo simulations in the grand canonical ensemble. The Hamiltonian of the system has a form of the extended Hubbard model (at the atomic limit) with nearest-neighbor Ising-like magnetic J interactions and onsite Coulomb U interactions. The model is investigated for both signs of J, arbitrary U interaction, and arbitrary chemical potential μ (or, equivalently, arbitrary particle concentration n). Based on the specific heat capacity and sublattice magnetization analyses, the phase diagrams of the model are determined. For ferromagnetic case (J<0), the transition from the ordered phase (which is a standard ferromagnet and can be stable up to k_{B}T/|J|≈0.61) is found to be second order (for sufficiently large temperatures k_{B}T/|J|≳0.2) or first order (for -1<U/|J|<-0.65 at the half-filling, i.e., n=1). In the case of J>0, the ordered phase occurs in a range of -1/2<U/|J|<0 (for n=1), while for larger U the state with short-range order is also found (also for n≠1). The ordered phase is characterized by an antiferromagnetic arrangement of magnetic moments in two sublattices forming the hexagonal lattice. The transition from this ordered phase, which is found also for μ≠0 (n≠1) and U/|J|>-1/2 is always second order for any model parameters. The ordered phase for J>0 can be stable up to k_{B}T/|J|≈0.06.