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Nature of ground states in one-dimensional electron-phonon Hubbard models at half-filling

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 Added by Claude Bourbonnais
 Publication date 2015
  fields Physics
and research's language is English




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The renormalization group technique is applied to one-dimensional electron-phonon Hubbard models at half-filling and zero temperature. For the Holstein-Hubbard model, the results of one-loop calculations are congruent with the phase diagram obtained by quantum Monte Carlo simulations in the $(U,g_{rm ph})$ plane for the phonon-mediated interaction $g_{rm ph}$ and the Coulomb interaction $U$. The incursion of an intermediate phase between a fully gapped charge-density-wave state and a Mott antiferromagnet is supported along with the growth of its size with the molecular phonon frequency $omega_0$. We find additional phases enfolding the base boundary of the intermediate phase. A Luttinger liquid line is found below some critical $ U^*approx g^*_{rm ph}$, followed at larger $Usim g_{rm ph}$ by a narrow region of bond-order-wave ordering which is either charge or spin gapped depending on $U$. For the Peierls-Hubbard model, the region of the $(U,g_{rm ph})$ plane with a fully gapped Peierls-bond-order-wave state shows a growing domination over the Mott gapped antiferromagnet as the Debye frequency $omega_D$ decreases. A power law dependence $g_{rm ph} sim U^{2eta}$ is found to map out the boundary between the two phases, whose exponent is in good agreement with the existing quantum Monte Carlo simulations performed when a finite nearest-neighbor repulsion term $V$ is added to the Hubbard interaction.



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We propose a new combined approach of the exact diagonalization, the renormalization group and the Bethe ansatz for precise estimates of the charge gap $Delta$ in the one-dimensional extended Hubbard model with the onsite and the nearest-neighbor interactions $U$ and $V$ at quarter filling. This approach enables us to obtain the absolute value of $Delta$ including the prefactor without ambiguity even in the critical regime of the metal-insulator transition (MIT) where $Delta$ is exponentially small, beyond usual renormalization group methods and/or finite size scaling approaches. The detailed results of $Delta$ down to of order of $10^{-10}$ near the MIT are shown as contour lines on the $U$-$V$ plane.
The Hubbard-Holstein model describes fermions on a discrete lattice, with on-site repulsion between fermions and a coupling to phonons that are localized on sites. Generally, at half-filling, increasing the coupling $g$ to the phonons drives the system towards a Peierls charge density wave state whereas increasing the electron-electron interaction $U$ drives the fermions into a Mott antiferromagnet. At low $g$ and $U$, or when doped, the system is metallic. In one-dimension, using quantum Monte Carlo simulations, we study the case where fermions have a long range coupling to phonons, with characteristic range $xi$, interpolating between the Holstein and Frohlich limits. Without electron-electron interaction, the fermions adopt a Peierls state when the coupling to the phonons is strong enough. This state is destabilized by a small coupling range $xi$, and leads to a collapse of the fermions, and, consequently, phase separation. Increasing interaction $U$ will drive any of these three phases (metallic, Peierls, phase separation) into a Mott insulator phase. The phase separation region is once again present in the $U e 0$ case, even for small values of the coupling range.
We calculate the charge and spin Drude weight of the one-dimensional extended Hubbard model with on-site repulsion $U$ and nearest-neighbor repulsion $V$ at quarter filling using the density-matrix renormalization group method combined with a variational principle. Our numerical results for the Hubbard model (V=0) agree with exact results obtained from the Bethe ansatz solution. We obtain the contour map for both Drude weights in the $UV$-parameter space for repulsive interactions. We find that the charge Drude weight is discontinuous across the Kosterlitz-Thouless transition between the Luttinger liquid and the charge-density-wave insulator, while the spin Drude weight varies smoothly and remains finite in both phases. Our results can be generally understood using bosonization and renormalization group results. The finite-size scaling of the charge Drude weight is well fitted by a polynomial function of the inverse system size in the metallic region. In the insulating region we find an exponential decay of the finite-size corrections with the system size and a universal relation between the charge gap $Delta_c$ and the correlation length $xi$ which controls this exponential decay.
We investigate the phase diagram of the one-dimensional repulsive Hubbard model with mass imbalance. Using DMRG, we show that this model has a triplet paired phase (dubbed $pi SG$) at generic fillings, consistent with previous theoretical analysis. We study the topological aspect of $pi SG$ phase, determining long-range string orders and the filling anomaly which refers to the relation among single particle gap, inversion symmetry and filling imbalance for open chains. We also find, using DMRG, that at $1/3$ filling, commensurate effects lead to two additional phases: a crystal phase and a trion phase; we construct a description of these phases using Tomonaga-Luttinger liquid theory.
We consider the optical conductivity $sigma_1(omega)$ in the metallic phase of the one-dimensional Hubbard model. Our results focus on the vicinity of half filling and the frequency regime around the optical gap in the Mott insulating phase. By means of a density-matrix renormalization group implementation of the correction-vector approach, $sigma_1(omega)$ is computed for a range of interaction strengths and dopings. We identify an energy scale $E_{rm opt}$ above which the optical conductivity shows a rapid increase. We then use a mobile impurity model in combination with exact results to determine the behavior of $sigma_1(omega)$ for frequencies just above $E_{rm opt}$ which is in agreement with our numerical data. As a main result, we find that this onset behavior is not described by a power law.
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