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arXiv:1012.2542 · Physical Review B

Phase diagram of the one-dimensional Hubbard-Holstein model at quarter filling

Sahinur Reja, Sudhakar Yarlagadda, P. B. Littlewood

Published Aug 25, 2011• 22 citations
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Abstract

We derive an effective Hamiltonian for the one-dimensional Hubbard-Holstein model, valid in a regime of both strong electron-electron (e-e) and electron-phonon (e-ph) interactions and in the nonadiabatic limit ($t/{\ensuremath{\omega}}_{0}\ensuremath{\le}1$), by using a nonperturbative approach. We obtain the phase diagram at quarter filling by employing a modified Lanczos method and studying various density-density correlations. The spin-spin AF (antiferromagnetic) interactions and nearest-neighbor repulsion, resulting from the e-e and the e-ph interactions, respectively, are the dominant terms (compared to hopping) and compete to determine the various correlated phases. As e-e interaction $(U/t)$ is increased, the system transits from an AF cluster to a correlated singlet phase through a discontinuous transition at all strong e-ph couplings $2\ensuremath{\le}g\ensuremath{\le}3$ considered. At higher values of $U/t$ and moderately strong e-ph interactions ($2\ensuremath{\le}g\ensuremath{\le}2.6$), the singlets break up to form an AF order and then to a paramagnetic order all in a single sublattice; whereas at larger values of $g$ ($>$$2.6$), the system jumps directly to the spin disordered charge-density-wave (CDW) phase.

DOI
10.1103/physrevb.84.085127

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We derive an effective Hamiltonian for the one-dimensional Hubbard-Holstein model, valid in a regime of both strong electron-electron (e-e) and electron-phonon (e-ph) interactions and in the nonadiabatic limit (t/\ensuremathω0\ensuremath≤1t/{\ensuremath{\omega}}_{0}\ensuremath{\le}1t/\ensuremathω0​\ensuremath≤1), by using a nonperturbative approach. We obtain the phase diagram at quarter filling by employing a modified Lanczos method and studying various density-density correlations. The spin-spin AF (antiferromagnetic) interactions and nearest-neighbor repulsion, resulting from the e-e and the e-ph interactions, respectively, are the dominant terms (compared to hopping) and compete to determine the various correlated phases. As e-e interaction (U/t)(U/t)(U/t) is increased, the system transits from an AF cluster to a correlated singlet phase through a discontinuous transition at all strong e-ph couplings 2\ensuremath≤g\ensuremath≤32\ensuremath{\le}g\ensuremath{\le}32\ensuremath≤g\ensuremath≤3 considered. At higher values of U/tU/tU/t and moderately strong e-ph interactions (2\ensuremath≤g\ensuremath≤2.62\ensuremath{\le}g\ensuremath{\le}2.62\ensuremath≤g\ensuremath≤2.6), the singlets break up to form an AF order and then to a paramagnetic order all in a single sublattice; whereas at larger values of ggg (>$$2.6), the system jumps directly to the spin disordered charge-density-wave (CDW) phase.
We derive an effective electronic Hamiltonian for the square lattice Hubbard-Holstein model (HHM) in the strong electron-electron $(e\text{\ensuremath{-}}e)$ and electron-phonon $(e\text{\ensuremath{-}}ph)$ coupling regime and under nonadiabatic conditions $(t/{\ensuremath{\omega}}_{0}\ensuremath{\le}1)$, ttt and ${\ensuremath{\omega}}_{0}$ being the electron hopping and phonon frequency respectively. Using the density matrix renormalization-group method, we simulate this effective electronic model on a four-leg cylinder system at quarter filling and present a phase diagram in the $g\text{\ensuremath{-}}U$ plane where ggg and UUU are the $e\text{\ensuremath{-}}ph$ coupling constant and Hubbard on-site interaction respectively. For larger ggg, we find that a cluster of spins, i.e., phase separation (PS), gives way to a charge density wave (CDW) phase made of nearest-neighbor singlets which abruptly goes to another CDW phase as we increase UUU. But for smaller ggg, we find a metallic phase sandwiched between PS and the singlet CDW phase. This phase is characterized by a vanishing charge gap but a finite spin gap, suggesting a singlet superconducting phase.
We show that a nearest-neighbor singlet phase results (from an effective Hamiltonian) for the one-dimensional Hubbard-Holstein model in the regime of strong electron-electron and electron-phonon interactions and under nonadiabatic conditions ($t/{\ensuremath{\omega}}_{0}\ensuremath{\leqslant}1$). By mapping the system of nearest-neighbor singlets at a filling Np/N{N}_{p}/NNp​/N onto a hard-core-boson (HCB) ttt-VVV model at a filling ${N}_{p}/(N\ensuremath{-}{N}_{p})$, we demonstrate explicitly that superfluidity and charge density wave (CDW) occur mutually exclusively with the diagonal long range order manifesting itself only at one-third filling. Furthermore, we also show that the Bose-Einstein condensate (BEC) occupation number n0{n}_{0}n0​ for the singlet phase, similar to the n0{n}_{0}n0​ for a HCB tight binding model, scales as N\sqrt{N}N​; however, the coefficient of N\sqrt{N}N​ in the n0{n}_{0}n0​ for the interacting singlet phase is numerically demonstrated to be smaller.
The Hubbard-Holstein model is one of the simplest to incorporate both electron-electron and electron-phonon interactions. In one dimension at half filling, the Holstein electron-phonon coupling promotes on-site pairs of electrons and a Peierls charge-density wave, while the Hubbard on-site Coulomb repulsion UUU promotes antiferromagnetic correlations and a Mott insulating state. Recent numerical studies have found a possible third intermediate phase between Peierls and Mott states. From direct calculations of charge and spin susceptibilities, we show that (i) as the electron-phonon coupling is increased, first a spin gap opens, followed by the Peierls transition. Between these two transitions, the metallic intermediate phase has a spin gap, no charge gap, and properties similar to the negative-UUU Hubbard model. (ii) The transitions between Mott/intermediate and intermediate/Peierls states are of the Kosterlitz-Thouless form. (iii) For larger UUU, the two transitions merge at a tricritical point into a single first-order Mott/Peierls transition. In addition, we show that an intermediate phase also occurs in the quarter-filled model.
We study the Holstein-Hubbard model at half filling to explore ordered phases including superconductivity (SC), antiferromagnetism (AF), and charge order (CO) in situations where the electron-electron and electron-phonon interactions are strong (comparable to the electronic bandwidth). The model is solved in the dynamical mean-field approximation with a continuous-time quantum Monte Carlo impurity solver. We determine the superconducting transition temperature Tc{T}_{c}Tc​ and the SC order parameter and show that the phonon-induced retardation or the strong Coulomb interaction leads to a significant reduction and shift of the Tc{T}_{c}Tc​ dome against the effective electron-electron interaction Ueff{U}_{\text{eff}}Ueff​ given by the Hubbard UUU reduced by the phonon-mediated attraction in the static limit. This behavior is analyzed by comparison to an effective static model in the polaron representation with a renormalized bandwidth. In addition, we discuss the superconducting gap $\ensuremath{\Delta}$ and $2\ensuremath{\Delta}/{T}_{c}$ to reveal the effect of the retardation and the Coulomb interaction. We also determine the finite-temperature phase diagram including AF and CO. In the moderate-coupling regime, there is a hysteretic region of AF and CO around Ueff=0{U}_{\mathrm{eff}}=0Ueff​=0, while the two phases are separated by a paramagnetic metal in the weak-coupling regime and a paramagnetic insulator in the strong-coupling regime.
Phase diagram of the two-dimensional Hubbard-Holstein model: enhancement of sss-wave pairing between charge and magnetic orders
We investigate the role of electron-electron and electron-phonon interactions in strongly correlated systems by performing unbiased quantum Monte Carlo simulations in the square lattice Hubbard-Holstein model at half-filling. We study the competition and interplay between antiferromagnetism (AFM) and charge-density wave (CDW), establishing its very rich phase diagram. In the region between AFM and CDW phases, we have found an enhancement of superconducting pairing correlations, favoring (nonlocal) sss-wave pairs. Our study sheds light over past inconsistencies in the literature, in particular the emergence of CDW in the pure Holstein model case.