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arXiv:1502.00686 · Physical Review B

Renormalization of spectra by phase competition in the half-filled Hubbard-Holstein model

Elizabeth Nowadnick, Steven Johnston, Brian Moritz, Thomas Devereaux

Published Apr 23, 2015• 25 citations
arXivHTMLPDF

Abstract

We present electron and phonon spectral functions calculated from determinant quantum Monte Carlo simulations of the half-filled two-dimensional Hubbard-Holstein model on a square lattice. By tuning the relative electron-electron $(e\ensuremath{-}e)$ and electron-phonon $(e\ensuremath{-}ph)$ interaction strengths, we show the electron spectral function evolving between antiferromagnetic insulating, metallic, and charge-density-wave (CDW) insulating phases. The phonon spectra concurrently gain a strong momentum dependence and soften in energy upon approaching the CDW phase. In particular, we study how the $e\ensuremath{-}e$ and $e\ensuremath{-}ph$ interactions renormalize the spectra and find that the presence of both interactions suppresses the amount of renormalization at low energy, thus allowing the emergence of a metallic phase at intermediate coupling strengths. In addition, we find a modest enhancement of the $d$-wave pairing susceptibility in the metallic regime, although spin and charge correlations are still dominant at the temperatures considered in our study. These findings demonstrate the importance of considering the influence of multiple interactions in spectroscopically determining any one interaction strength in strongly correlated materials.

DOI
10.1103/physrevb.91.165127

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We present electron and phonon spectral functions calculated from determinant quantum Monte Carlo simulations of the half-filled two-dimensional Hubbard-Holstein model on a square lattice. By tuning the relative electron-electron (e\ensuremath−e)(e\ensuremath{-}e)(e\ensuremath−e) and electron-phonon (e\ensuremath−ph)(e\ensuremath{-}ph)(e\ensuremath−ph) interaction strengths, we show the electron spectral function evolving between antiferromagnetic insulating, metallic, and charge-density-wave (CDW) insulating phases. The phonon spectra concurrently gain a strong momentum dependence and soften in energy upon approaching the CDW phase. In particular, we study how the e\ensuremath−ee\ensuremath{-}ee\ensuremath−e and e\ensuremath−phe\ensuremath{-}phe\ensuremath−ph interactions renormalize the spectra and find that the presence of both interactions suppresses the amount of renormalization at low energy, thus allowing the emergence of a metallic phase at intermediate coupling strengths. In addition, we find a modest enhancement of the ddd-wave pairing susceptibility in the metallic regime, although spin and charge correlations are still dominant at the temperatures considered in our study. These findings demonstrate the importance of considering the influence of multiple interactions in spectroscopically determining any one interaction strength in strongly correlated materials.
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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.
We present a determinant quantum Monte Carlo study of the competition between instantaneous on-site Coulomb repulsion and retarded phonon-mediated attraction between electrons, as described by the two-dimensional Hubbard-Holstein model. At half filling, we find a strong competition between antiferromagnetism (AFM) and charge-density-wave (CDW) order. We demonstrate that a simple picture of AFM-CDW competition that incorporates the phonon-mediated attraction into an effective-U Hubbard model requires significant refinement. Specifically, retardation effects slow the onset of charge order so that CDW order remains absent even when the effective U is negative. This delay opens a window where neither AFM nor CDW order is well established and where there are signatures of a possible metallic phase.
We study the interplay between the electron-phonon (e(e(e-ph) and on-site electron-electron (e-e) interactions in a three-orbital Hubbard-Holstein model on an extended one-dimensional lattice using determinant quantum Monte Carlo. For weak e-e and eee-ph interactions, we observe a competition between an orbital-selective Mott phase (OSMP) and a (multicomponent) charge-density-wave (CDW) insulating phase, with an intermediate metallic phase located between them. For large e-e and eee-ph couplings, the OSMP and CDW phases persist, while the metallic phase develops short-range orbital correlations and becomes insulating when both the e-e and eee-ph interactions are large but comparable. Many of our conclusions are in line with those drawn from a prior dynamical mean-field theory study of the two-orbital Hubbard-Holstein model [Phys. Rev. B 95, 121112(R) (2017)] in infinite dimension, suggesting that the competition between the eee-ph and e-e interactions in multiorbital Hubbard-Holstein models leads to rich physics, regardless of the dimension of the system.
By using variational wave functions and quantum Monte Carlo techniques, we investigate the interplay between electron-electron and electron-phonon interactions in the two-dimensional Hubbard-Holstein model. Here, the ground-state phase diagram is triggered by several energy scales, i.e., the electron hopping ttt, the on-site electron-electron interaction UUU, the phonon energy ${\ensuremath{\omega}}_{0}$, and the electron-phonon coupling ggg. At half filling, the ground state is an antiferromagnetic insulator for $U\ensuremath{\gtrsim}2{g}^{2}/{\ensuremath{\omega}}_{0}$, while it is a charge-density-wave (or bipolaronic) insulator for $U\ensuremath{\lesssim}2{g}^{2}/{\ensuremath{\omega}}_{0}$. In addition to these phases, we find a superconducting phase that intrudes between them. For ${\ensuremath{\omega}}_{0}/t=1$, superconductivity emerges when both U/tU/tU/t and $2{g}^{2}/t{\ensuremath{\omega}}_{0}$ are small; then, by increasing the value of the phonon energy ${\ensuremath{\omega}}_{0}$, it extends along the transition line between antiferromagnetic and charge-density-wave insulators. Away from half filling, phase separation occurs when doping the charge-density-wave insulator, while a uniform (superconducting) ground state is found when doping the superconducting phase. In the analysis of finite-size effects, it is extremely important to average over twisted boundary conditions, especially in the weak-coupling limit and in the doped case.
The Holstein–Hubbard model is considered to study the competition between the electron-phonon interaction and the electron-electron interaction in a one-dimensional correlated Fermi system at half-filling. First, a series of canonical transformations that incorporate phonon coherence and correlation effects is performed and then the transformed Hamiltonian is averaged with respect to a zero-phonon state. The resulting effective electronic Hamiltonian is finally solved exactly by the Bethe-ansatz technique. It is shown that the present method suggests the existence of a wider intermediate metallic phase at the SDW-CDW crossover region than the one predicted by the simple variational method of Takada and Chatterjee. The presence of this metallic phase is indeed a favorable situation from the point of view of high temperature superconductivity.