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Segregation in the asymmetric Hubbard model

Daniel Ueltschi

Published Sep 13, 2013• 14 citations
OpenAlex

Abstract

Abstract. We study the ‘asymmetric ’ Hubbard model, where hoppings of electrons depend on their spin. For strong interactions and sufficiently asymmetric hoppings, it is proved that the ground state displays phase separation away from half-filling. This extends a recent result obtained with Freericks and Lieb for the Falicov-Kimball model. It is based on estimates for the sum of lowest eigenvalues of the discrete Laplacian in arbitrary domains.

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Phase separation in the particle-hole asymmetric Hubbard model

Martin Eckstein, Marcus Kollar, Michael Potthoff +1 more

The paramagnetic phase diagram of the Hubbard model with nearest-neighbor and next-nearest-neighbor (NNN) hopping on the Bethe lattice is computed at half-filling and in the weakly doped regime using the self-energy functional approach for dynamical mean-field theory. NNN hopping breaks the particle-hole symmetry and leads to a strong asymmetry of the electron-doped and hole-doped regimes. Phase separation occurs at and near half-filling, and the critical temperature of the Mott transition is strongly suppressed.

arXiv:cond-mat/0610803•Physical Review B•Mar 2, 2007•47 citations
Abstract. We study the ‘asymmetric ’ Hubbard model, where hoppings of electrons depend on their spin. For strong interactions and sufficiently asymmetric hoppings, it is proved that the ground state displays phase separation away from half-filling. This extends a recent result obtained with Freericks and Lieb for the Falicov-Kimball model. It is based on estimates for the sum of lowest eigenvalues of the discrete Laplacian in arbitrary domains.
The ground-state phase diagram of the asymmetric Hubbard model is studied in one and two dimensions by a well-controlled numerical method. The method allows us to calculate directly the probabilities of particular phases in the approximate ground state and thus to specify the stability domains corresponding to phases with the highest probabilities. Depending on the electron filling nnn and the magnitude of the asymmetry tf∕td{t}_{f}∕{t}_{d}tf​∕td​ between the hopping integrals of fff and ddd electrons two different scenarios in formation of ground states are observed. At low electron fillings $(n\ensuremath{\leqslant}1∕3)$ the ground states are always phase segregated in the limit of strong asymmetry (td⪢tf)({t}_{d}⪢{t}_{f})(td​⪢tf​). With decreasing asymmetry the system undergoes a transition to the phase-separated state and then to the homogeneous state. For electron fillings n>1∕3n>1∕3n>1∕3 and weak Coulomb interactions the ground state is homogeneous for all values of asymmetry, while for intermediate and strong interactions the system exhibits the same sequence of phase transitions as for nnn small. Moreover, it is shown that the segregated phase is significantly stabilized with increasing electron filling, while the separated phases disappear gradually from the ground-state phase diagrams.
Two-dimensional spinless Falicov-Kimball model (FKM) with correlated hopping is studied perturbatively in the limit of large on-site Coulomb interaction U. In the half filled case (i.e., ${\ensuremath{\rho}}_{i}+{\ensuremath{\rho}}_{e}=1,$ where ${\ensuremath{\rho}}_{i},{\ensuremath{\rho}}_{e}$ are densities of ions and electrons, respectively) the effective Hamiltonian in spin variables is derived up to terms proportional to ${U}^{\ensuremath{-}3}.$ Unlike the simplest FKM case, it contains odd parity terms (resulting from the correlated hopping) in addition to even parity ones. The ground-state phase diagram of the effective Hamiltonian is examined in the (a/t,h)(a/t,h)(a/t,h) plane, where a/ta/ta/t is a parameter characterizing strength of the correlated hopping and h is a difference of chemical potentials of two sorts of particles present in the system. It appears to be asymmetric with respect to the change $\stackrel{\ensuremath{\rightarrow}}{h}\ensuremath{-}h$ and an additional ordered phase is found for a certain interval of a/t.a/t.a/t.
In this work, we study two models of strongly correlated fermions: Hubbard and FalicovKimball. We present a proof of the existence of real and ordered solutions to the nested Bethe Ansatz equations for the one dimensional Hubbard model on a finite lattice, with periodic boundary conditions. The existence of a continuous set of solutions extending from any U > 0 to U = ∞ is also shown, where U is the strength of the interaction between fermions at the same site. We use this continuity property, combined with the proof that the norm of the wavefunction obtained with the generalized Bethe Ansatz is not zero, to prove that the solution gives us the ground state of the finite system, as assumed by Lieb and Wu. For the absolute ground state at half-filling, we show that the solution converges to a distribution in the thermodynamic limit. This limit distribution satisfies the integral equations that led to the Lieb-Wu solution of the 1D Hubbard model. We also obtain a lower bound for the ground state energy of the Falicov-Kimball model. This bound is given by a bulk term, plus a term proportional to the boundary. A numerical value for the coefficient of the boundary term is determined. The explicit derivation is important in the proof of the conjecture of segregation of the two kinds of fermions in the Falicov-Kimball model, for sufficiently large interactions.
The ground state nature of the Falicov-Kimball model with unconstrained hopping of electrons is investigated. We solve the eigenvalue problem in a pedagogical manner and give a complete account of the ground state energy both as a function of the number of electrons and nuclei and as a function of the total number of particles for any value of interaction U. We also study the energy gap and show the existence of a phase transition characterized by the absence of gap at the half--filled band for U<0. The model in consideration was proposed and solved by Farkasovsky for finite lattices and repulsive on-site interaction U>0. Contrary to his proposal we conveniently scale the hopping matrix to guarantee the existence of the thermodynamic limit. We also solve this model with bipartite unconstrained hopping matrices in order to compare with the Kennedy--Lieb variational analysis.
The paramagnetic phase diagram of the Hubbard model with nearest-neighbor and next-nearest-neighbor (NNN) hopping on the Bethe lattice is computed at half-filling and in the weakly doped regime using the self-energy functional approach for dynamical mean-field theory. NNN hopping breaks the particle-hole symmetry and leads to a strong asymmetry of the electron-doped and hole-doped regimes. Phase separation occurs at and near half-filling, and the critical temperature of the Mott transition is strongly suppressed.