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Physica B Condensed Matter

Electronic phase diagram in the half-filled ionic Hubbard model with site-dependent interactions

Anh-Tuan Hoang, Thi-Hai-Yen Nguyen, Duc‐Anh Le

Published Dec 6, 2017• 0 citations
Publisher
DOI
10.1016/j.physb.2017.12.006

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We investigate the ground-state phase diagram of the half-filled $t\text{\ensuremath{-}}{t}^{\ensuremath{'}}$ repulsive Hubbard model in the presence of a staggered ionic potential $\ensuremath{\Delta}$ using the continuum-limit bosonization approach. We find that with increasing on-site repulsion UUU, depending on the value of the next-nearest-neighbor hopping amplitude ${t}^{\ensuremath{'}}$, the model shows three different versions of the ground-state phase diagram. For ${t}^{\ensuremath{'}}<{t}_{c}^{{*}^{\ensuremath{'}}}$, the ground-state phase diagram consists of the following three insulating phases: band insulator at U<UcU<{U}_{c}U<Uc​, ferroelectric insulator at Uc<U<Us{U}_{c}<U<{U}_{s}Uc​<U<Us​, and correlated (Mott) insulator at U>UcU>{U}_{c}U>Uc​. For ${t}^{\ensuremath{'}}>{t}_{c}^{\ensuremath{'}}$ there is only one transition from a spin-gapped metallic phase at U<UcU<{U}_{c}U<Uc​ to a ferroelectric insulator at U>UcU>{U}_{c}U>Uc​. Finally, for intermediate values of the next-nearest-neighbor hopping amplitude ${t}_{c}^{{*}^{\ensuremath{'}}}<{t}^{\ensuremath{'}}<{t}_{c}^{\ensuremath{'}}$ we find that with increasing on-site repulsion, at Uc1{U}_{c1}Uc1​ the model undergoes a second-order commensurate-incommensurate-type transition from a band insulator into a metallic state and at larger Uc2{U}_{c2}Uc2​ there is a Kosterlitz-Thouless-type transition from a metal to a ferroelectric insulator.
We use a density-matrix renormalization group method to study quantitatively the phase diagram of the half-filled one-dimensional (1D) extended Hubbard model in the presence of a staggered ionic potential Δ. An extensive finite-size scaling analysis is carried out on the relevant structure factors and localization operator to characterize the Mott-insulator (MI)-bond-ordered insulator (BOI)-band-insulator (BI) transitions. The intermediate BOI phase occupies a small region of the phase diagram, and this region is enlarged in the presence of Δ. In addition, the phase diagram of ionic Hubbard (the nearest-neighbor electron-electron interaction V=0) is also given.
We present a numerical study of the Hubbard-Holstein model in one dimension at half filling, including finite-frequency quantum phonons. At half filling, the effects of the electron-phonon and electron-electron interactions compete with the Holstein phonon coupling acting as an effective negative Hubbard on-site interaction U that promotes on-site electron pairs and a Peierls charge-density wave state. Most previous work on this model has assumed that only Peierls or Mott phases are possible at half filling. However, there has been speculation that a third metallic phase exists between the Peierls and Mott phases. We confirm the intermediate phase, and show that the Luttinger liquid correlation exponent K(rho) >1 in this region, indicating dominant superconducting pair correlations. We explore the full phase diagram as a function of Hubbard U, phonon coupling constant, and phonon frequency.