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Physical review. B, Condensed matter

Low-temperature conductivity in a narrow half-filled Hubbard chain

Jean-Pierre Gallinar

Published Jan 15, 1978• 6 citations
Publisher

Abstract

In this paper, the low-temperature (${k}_{B}T\ensuremath{\ll}U$) frequency-dependent $\ensuremath{\sigma}(\ensuremath{\omega})$ conductivity in a half-filled Hubbard chain is calculated to the lowest order in the parameter $\frac{t}{U}$ and in closed form to all orders in $\frac{t}{\ensuremath{\omega}}\ensuremath{-}U$. Here $t$ is the nearest-neighbor hopping integral and $U$ the intra-atomic Coulomb interaction. The problem is formulated in terms of the number of random walks of an electron and a hole which leave the spin configuration unchanged, at temperatures such that ${k}_{B}T\ensuremath{\ll}t\ensuremath{\ll}U$ (where ${k}_{B}$ is Boltzmann's constant). The conductivity then depends on spin configuration, and for both the antiferromagnetic (AF) ($T=0$ K) ground state and the equiprobable or random arrangement ($R$) (${k}_{B}T\ensuremath{\gg}\frac{{t}^{2}}{U}$) an exact expression is found. For the partially disordered regime ($T\ensuremath{\simeq}{T}_{N}$) the thermodynamical averaging is expressed in terms of a phenomenological spin-spin correlation length $l$ which interpolates between the AF and $R$ exact limits. This solution is such that for $l=\ensuremath{\infty}$ the AF line shape is recovered except at the center of the spectrum (i.e., at $\ensuremath{\omega}=U$), where the absorption always diverges logarithmically. For a ferromagnetic ($l=0$) arrangement induced by a magnetic field, the absorption then vanishes. The line shapes obtained have sharp edges at $|\ensuremath{\omega}|=U\ifmmode\pm\else\textpm\fi{}4t$ for all temperatures. At the critical value of $4t=U$ the AF ground state is found to undergo a metallic transition. A closed-form analytical expression in terms of the three elliptical integrals is given for the absorption lines. Except for the AF case, which has a square-root edge singularity, the absorption is found to vanish linearly. Finally, a comparison is made with some recent calculations.

DOI
10.1103/physrevb.17.807

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•Jan 22, 1998•0 citations
In this paper, the low-temperature (kBT\ensuremath≪U{k}_{B}T\ensuremath{\ll}UkB​T\ensuremath≪U) frequency-dependent \ensuremathσ(\ensuremathω)\ensuremath{\sigma}(\ensuremath{\omega})\ensuremathσ(\ensuremathω) conductivity in a half-filled Hubbard chain is calculated to the lowest order in the parameter tU\frac{t}{U}Ut​ and in closed form to all orders in t\ensuremathω\ensuremath−U\frac{t}{\ensuremath{\omega}}\ensuremath{-}U\ensuremathωt​\ensuremath−U. Here ttt is the nearest-neighbor hopping integral and UUU the intra-atomic Coulomb interaction. The problem is formulated in terms of the number of random walks of an electron and a hole which leave the spin configuration unchanged, at temperatures such that kBT\ensuremath≪t\ensuremath≪U{k}_{B}T\ensuremath{\ll}t\ensuremath{\ll}UkB​T\ensuremath≪t\ensuremath≪U (where kB{k}_{B}kB​ is Boltzmann's constant). The conductivity then depends on spin configuration, and for both the antiferromagnetic (AF) (T=0T=0T=0 K) ground state and the equiprobable or random arrangement (RRR) (kBT\ensuremath≫t2U{k}_{B}T\ensuremath{\gg}\frac{{t}^{2}}{U}kB​T\ensuremath≫Ut2​) an exact expression is found. For the partially disordered regime (T\ensuremath≃TNT\ensuremath{\simeq}{T}_{N}T\ensuremath≃TN​) the thermodynamical averaging is expressed in terms of a phenomenological spin-spin correlation length lll which interpolates between the AF and RRR exact limits. This solution is such that for l=\ensuremath∞l=\ensuremath{\infty}l=\ensuremath∞ the AF line shape is recovered except at the center of the spectrum (i.e., at \ensuremathω=U\ensuremath{\omega}=U\ensuremathω=U), where the absorption always diverges logarithmically. For a ferromagnetic (l=0l=0l=0) arrangement induced by a magnetic field, the absorption then vanishes. The line shapes obtained have sharp edges at ∣\ensuremathω∣=U\ifmmode±\else\textpm\fi4t|\ensuremath{\omega}|=U\ifmmode\pm\else\textpm\fi{}4t∣\ensuremathω∣=U\ifmmode±\else\textpm\fi4t for all temperatures. At the critical value of 4t=U4t=U4t=U the AF ground state is found to undergo a metallic transition. A closed-form analytical expression in terms of the three elliptical integrals is given for the absorption lines. Except for the AF case, which has a square-root edge singularity, the absorption is found to vanish linearly. Finally, a comparison is made with some recent calculations.
A theory of absorption is presented for a half-filled Hubbard band with nearest-neighbour electron transfer (t) and strong intra-site Coulomb repulsion (U). The lineshape is calculated at low temperature (i.e. k B T<<U) to lowest order in t/U for antiferromagnetic, random and ferromagnetic spin configurations in a Cayley tree lattice with a particular emphasis on one dimension. The authors find that the absorption diverges logarithmically at the centre of the absorption band (i.e. at h(cross) omega =U). In a one-dimensional lattice, the absorption width equals twice the bandwidth of a single hole (or an extra electron) in an otherwise half-filled Hubbard band.
We study the frequency-dependent electrical conductivity of a structurally disordered single-band Hubbard model near half-filling and in the strong-correlation limit. The electronic transfer integral is assumed to have a quasi-exponential form as used in the impurity-band problem of doped semiconductors. The short-time expansion of the current correlation function is calculated diagrammatically to the second order in the inverse temperature β and up to the seventh order in electronic hopping. Based on this expansion an approximate current correlation function is constructed. By means of the Kubo formula, the configurational average of the electrical conductivity is then calculated to order β2 for various atomic densities. The validity of the high-temperature expansion is examined. We also study the effect of spin polarization on the absorption line shape and the dc resistivity at different temperatures.
We describe a low-temperature approach to the two-dimensional half-filled Hubbard model which allows us to study both antiferromagnetism and single-particle properties. This approach ignores amplitude fluctuations of the antiferromagnetic (AF) order parameter and is valid below a crossover temperature TX{T}_{X}TX​ which marks the onset of AF short-range order. Directional fluctuations (spin waves) are described by a nonlinear sigma model $(\mathrm{NL}\ensuremath{\sigma}\mathrm{M})$ that we derive from the Hubbard model. The parameters of the $\mathrm{NL}\ensuremath{\sigma}\mathrm{M}$---the spin stiffness and spin-wave velocity---are calculated as a function of the Coulomb repulsion U. The $\mathrm{NL}\ensuremath{\sigma}\mathrm{M}$ is solved by a saddle-point approximation within the CP1{\mathrm{CP}}^{1}CP1 representation where the N\'eel field is parametrized by two Schwinger bosons. At zero temperature, there is always Bose condensation of the Schwinger bosons, which signals AF long-range order for any value of the Coulomb repulsion. At finite temperature, the AF long-range order is suppressed (in agreement with the Mermin-Wagner theorem), but the AF correlation length remains exponentially large. In the CP1{\mathrm{CP}}^{1}CP1 representation, the fermion field is naturally expressed as the product of a Schwinger boson and a pseudofermion whose spin is quantized along the (fluctuating) N\'eel field. This allows us to write the fermion Green's function as the product (in direct space) of the Schwinger boson propagator (which is derived from the $\mathrm{NL}\ensuremath{\sigma}\mathrm{M})$ and the pseudofermion propagator. At zero temperature and weak coupling, our results are typical of a Slater antiferromagnet. The AF gap is exponentially small; there are well-defined Bogoliubov quasiparticles (QP's) (carrying most of the spectral weight) coexisting with a high-energy incoherent excitation background. As U increases, the Slater antiferromagnet progressively becomes a Mott-Heisenberg antiferromagnet. The Bogoliubov bands evolve into Mott-Hubbard bands separated by a large AF gap. A significant fraction of spectral weight is transferred from the Bogoliubov QP's to incoherent excitations. At finite temperature, there is a metal-insulator transition between a pseudogap phase at weak coupling and a Mott-Hubbard insulator at strong coupling. Finally, we point out that our results straightforwardly translate to the half-filled attractive Hubbard model, where the $\mathbf{q}=(\ensuremath{\pi},\ensuremath{\pi})$ charge and q=0\mathbf{q}=0q=0 pairing fluctuations combine to form an order parameter with SO(3) symmetry.
The Hubbard model for a disordered linear chain with a half-filled band is studied. At low temperatures ($T\ensuremath{\lesssim}\frac{U}{4k}$) and sufficiently small transfer integrals, the Hamiltonian via a perturbation expansion reduces to that of a disordered one-dimensional Heisenberg antiferromagnet. It is found that the coupling constant JJJ has for $n\ensuremath{\gg}1$ the behavior $J=D{n}^{\ensuremath{\alpha}}{\ensuremath{\beta}}^{2n}$, where DDD, $\ensuremath{\alpha}$, and $\ensuremath{\beta}$ depend on the parameters of the Hamiltonian and nnn is the number of intermediate sites between localized spins, and is a random variable. An expression for the probability distribution P(J)P(J)P(J) of exchange integral JJJ is also obtained. For small JJJ, $P(J)\ensuremath{\propto}\frac{1}{{J}^{1\ensuremath{-}c}}{|\mathrm{ln}(\frac{J}{D})|}^{\ensuremath{\alpha}c}$. That is, P(J)P(J)P(J) has a singularity at the origin for c<1c<1c<1, where ccc depends on the parameters of the Hamiltonian.
The linear-chain Hubbard model with nearest-neighbor hopping parameter ttt is reexpressed in terms of pseudospin operators according to the Jordan-Wigner transformation. The resulting spin model is then treated classically. It is found that for a half-filled band there is a phase transition in the ground state as a function of ttt. The electrical conductivity is calculated and shown to vanish discontinuously at the critical value of 4t=U4t = U4t=U (Coulomb repulsion). A Josephson-type relation is obtained between the difference in azimuthal angles of adjacent spins and the potential difference between sites. It is also shown that a local magnetic moment exists in the insulating state. For the non-half-filled band, it is shown that the ground state is ferromagnetic for 4t<U4t < U4t<U.
The half-filled Hubbard model on the Bethe lattice with coordination number z=3z=3z=3 is studied using the density-matrix renormalization group (DMRG) method. Ground-state properties such as the energy EEE, average local magnetization $ $, its fluctuations $ - ^2$ and various spin correlation functions $ - $ are determined as a function of the Coulomb interaction strength U/tU/tU/t. The calculated local magnetic moments $ $ increase monotonically with increasing Coulomb repulsion U/tU/tU/t forming an antiferromagnetic spin-density-wave state which matches the two sublattices of the bipartite Bethe lattice. At large U/tU/tU/t, $ $ is strongly reduced with respect to the saturation value 1/2 due to exchange fluctuations between nearest neighbors (NN) spins (∣∣≃0.35| |\simeq 0.35∣∣≃0.35 for U/t→+∞U/t\to +\inftyU/t→+∞). $ - ^2$ shows a maximum for U/t=2.4U/t=2.4U/t=2.4--2.9 which results from the interplay between the usual increase of $ $ with increasing U/tU/tU/t and the formation of important permanent moments $ $ at large U/tU/tU/t. NN sites show antiferromagnetic spin correlations which increase with increasing Coulomb repulsion. In contrast next NN sites are very weakly correlated over the whole range of U/tU/tU/t. The accuracy of the DMRG results is discussed by comparison with tight-binding exact results, independent DMRG calculations for the Heisenberg model and simple first-order perturbation estimates.