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arXiv:2008.00020 · Communications Physics

Relative importance of nonlinear electron-phonon coupling and vertex corrections in the Holstein model

Philip M. Dee, Jennifer Coulter, Kevin G. Kleiner, Steven Johnston

Published Aug 21, 2020• 43 citations

Abstract

Abstract Determining the range of validity of Migdal’s approximation for electron-phonon (e-ph) coupled systems is a long-standing problem. Many attempts to answer this question employ the Holstein Hamiltonian, where the electron density couples linearly to local lattice displacements. When these displacements are large, however, nonlinear corrections to the interaction must also be included, which can significantly alter the physical picture obtained from this model. Using determinant quantum Monte Carlo and the self-consistent Migdal approximation, we compared superconducting and charge-density-wave correlations in the Holstein model with and without second-order nonlinear interactions. We find a disagreement between the two cases, even for relatively small values of the e-ph coupling strength, and, importantly, that this can occur in the same parameter regions where Migdal’s approximation holds. Our results demonstrate that questions regarding the validity of Migdal’s approximation go hand in hand with questions of the validity of a linear e-ph interaction.

DOI: 10.1038/s42005-020-00413-2

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Abstract Determining the range of validity of Migdal’s approximation for electron-phonon (e-ph) coupled systems is a long-standing problem. Many attempts to answer this question employ the Holstein Hamiltonian, where the electron density couples linearly to local lattice displacements. When these displacements are large, however, nonlinear corrections to the interaction must also be included, which can significantly alter the physical picture obtained from this model. Using determinant quantum Monte Carlo and the self-consistent Migdal approximation, we compared superconducting and charge-density-wave correlations in the Holstein model with and without second-order nonlinear interactions. We find a disagreement between the two cases, even for relatively small values of the e-ph coupling strength, and, importantly, that this can occur in the same parameter regions where Migdal’s approximation holds. Our results demonstrate that questions regarding the validity of Migdal’s approximation go hand in hand with questions of the validity of a linear e-ph interaction.

We use determinant quantum Monte Carlo to study the single-particle properties of quasiparticles and phonons in a variant of the two-dimensional Holstein model that includes an additional nonlinear electron-phonon (e-ph) interaction. We find that a small positive nonlinear interaction reduces the effective coupling between the electrons and the lattice, suppresses charge-density-wave (CDW) correlations, and hardens the effective phonon frequency. Conversely, a small negative nonlinear interaction can enhance the e-ph coupling resulting in heavier quasiparticles, an increased tendency towards a CDW phase at all fillings, and a softened phonon frequency. An effective linear model with a renormalized interaction strength and phonon frequency can qualitatively capture this physics; however, the quantitative effects of the nonlinearity on both the electronic and phononic degrees of freedom cannot be captured by such a model. These results are significant for typical nonlinear coupling strengths found in real materials, indicating that nonlinearity can have an important influence on the physics of many e-ph coupled systems.

The electron-phonon $(e\text{\ensuremath{-}}\mathrm{ph})$ interaction remains of great interest in condensed matter physics and plays a vital role in realizing superconductors, charge density waves (CDW), and polarons. We study the two-dimensional Holstein model for $e\text{\ensuremath{-}}\mathrm{ph}$ coupling using determinant quantum Monte Carlo across a wide range of its phase diagram as a function of temperature, electron density, dimensionless $e\text{\ensuremath{-}}\mathrm{ph}$ coupling strength, and the adiabatic ratio of the phonon frequency to the Fermi energy. We describe the behavior of the CDW correlations, the competition between superconducting and CDW orders and polaron formation, the optimal conditions for superconductivity, and the transition from the weak-coupling regime to the strong-coupling regime. Superconductivity is optimized at intermediate $e\text{\ensuremath{-}}\mathrm{ph}$ coupling strength and intermediate electron density, and the superconducting correlations increase monotonically with phonon frequency. The global maximum for superconductivity in the Holstein model occurs at large phonon frequency, the limit where an attractive Hubbard model effectively describes the physics.

Abstract Several state-of-the-art numerical methods have observed static or fluctuating spin and charge stripes in doped two-dimensional Hubbard models, suggesting that these orders play a significant role in shaping the cuprate phase diagram. Many experiments, however, also indicate that the cuprates have strong electron-phonon (e-ph) coupling, and it is unclear how this interaction influences stripe correlations. We study static and fluctuating stripe orders in the doped single-band Hubbard-Holstein model using zero temperature variational Monte Carlo and finite temperature determinant quantum Monte Carlo. We find that the lattice couples more strongly with the charge component of the stripes, leading to an enhancement or suppression of stripe correlations, depending on model parameters like the next-nearest-neighbor hopping

{t}^{{\prime} }

t′ or phonon energy Ω. Our results help elucidate how thee-ph interaction can tip the delicate balance between stripe and superconducting correlations in the Hubbard-Holstein model with implications for our understanding of the high-Tccuprates.

Abstract The electron–electron and electron–phonon interactions play an important role in correlated materials, being key features for spin, charge and pair correlations. Thus, here we investigate their effects 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, favouring (nonlocal) s-wave pairs. Our study sheds light over past inconsistencies in the literature, in particular the emergence of CDW in the pure Holstein model case.

The interplay of electron-phonon coupling and strong electronic correlations is studied in the frame of the two-dimensional Hubbard-Holstein model. Static and dynamic properties are determined by quantum Monte Carlo simulations and by Migdal-Eliashberg theory. The comparison allows us to assess the diagrammatic approach. The competition between the phonon-mediated electron-electron attraction and the local Coulomb repulsion leads to a rich phase diagram, which we study in detail for a wide range of parameters. We address the question, to which extent the systems can be described by an effective negative-U Hubbard model.