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arXiv:0906.3865 · Physical Review B

Interplay of electron-phonon interaction and strong correlations: DMFT+Σ study

É. Z. Kuchinskiǐ, I. A. Nekrasov, Michael V. Sadovskii

Published Sep 29, 2009• 16 citations
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Abstract

We perform investigation of the Hubbard model with interaction between strongly correlated conducting electrons on a lattice with Debye phonons. To solve the problem generalized dynamical mean-field $\text{DMFT}+\ensuremath{\Sigma}$ method is employed with ``external'' self-energy ${\ensuremath{\Sigma}}_{ph}$ corresponding to electron-phonon interaction. We present $\text{DMFT}+{\ensuremath{\Sigma}}_{ph}$ results for densities of states and kinks in energy dispersions for a variety of model parameters, analyzing the interplay of recently discovered kinks of purely electronic nature and usual phonon kinks in the electronic spectrum.

DOI
10.1103/physrevb.80.115124

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We perform investigation of the Hubbard model with interaction between strongly correlated conducting electrons on a lattice with Debye phonons. To solve the problem generalized dynamical mean-field DMFT+\ensuremathΣ\text{DMFT}+\ensuremath{\Sigma}DMFT+\ensuremathΣ method is employed with ``external'' self-energy \ensuremathΣph{\ensuremath{\Sigma}}_{ph}\ensuremathΣph​ corresponding to electron-phonon interaction. We present DMFT+\ensuremathΣph\text{DMFT}+{\ensuremath{\Sigma}}_{ph}DMFT+\ensuremathΣph​ results for densities of states and kinks in energy dispersions for a variety of model parameters, analyzing the interplay of recently discovered kinks of purely electronic nature and usual phonon kinks in the electronic spectrum.
This review is devoted to generalization of dynamical mean-field theory (DMFT) for strongly correlated electronic systems towards the account of different types of additional interactions, necessary for correct physical description of many experimentally observed phenomena in such systems. As additional interactions we consider: (1) interaction of electrons with antiferromagnetic (or charge) fluctuations of order parameter in high-Tc superconductors leading to the formation of pseudogap state, (2) scattering of electrons on static disorder and its role in general picture of Anderson-Hubbard metal-insulator transition, (3) electron-phonon interaction and corresponding anomalies of electronic spectra in strongly correlated systems. Proposed DMFT+Sigma approach is based on taking into account above mentioned interactions by introducing additional self-energy Sigma (in general momentum dependent) into conventional DMFT scheme and calculated in a self-consistent way within the standard set of DMFT equations. Here we formulate general scheme of calculation of both one-particle (spectral functions and densities of states) and two-particle (optical conductivity) properties. We examine the problem of pseudogap formation, including the Fermi arc formation and partial destruction of the Fermi surface, metal-insulator transition in disordered Anderson-Hubbard model, and general picture of kink formation within electronic spectra in strongly correlated systems. DMFT+Sigma approach is generalized to describe realistic materials with strong electron-electron correlations based on LDA+DMFT method. General scheme of LDA+DMFT method is presented together with some of its applications to real systems. The LDA+DMFT+Sigma approach is employed to modelling of pseudogap state of electron and hole doped high-T_c cuprates. Comparison with variety of ARPES experiments is given.
We generalize the dynamical-mean field (DMFT) approximation by including into the DMFT equations some length scale $\ensuremath{\xi}$ via a momentum dependent external self-energy ${\ensuremath{\Sigma}}_{\mathbf{k}}$. This external self-energy describes nonlocal dynamical correlations induced by the short-ranged collective spin density wave--like antiferromagnetic spin (or the charge density wave--like charge) fluctuations. At high enough temperatures these fluctuations can be viewed as a quenched Gaussian random field with a finite correlation length. This generalized $\mathrm{DMFT}+{\ensuremath{\Sigma}}_{\mathbf{k}}$ approach is used for the numerical solution of the weakly doped one-band Hubbard model with repulsive Coulomb interaction on a square lattice with the nearest and the next nearest neighbor hopping. The effective single impurity problem in this generalized $\mathrm{DMFT}+{\ensuremath{\Sigma}}_{\mathbf{k}}$ is solved by the numerical renormalization group. Both types of the strongly correlated metals, namely: (i) The doped Mott insulator and (ii) the case of the bandwidth $W\ensuremath{\lesssim}U$ (UUU---value of the local Coulomb interaction) are considered. The densities of states, the spectral functions, and the angle resolved photoemission spectra calculated within the $\mathrm{DMFT}+{\ensuremath{\Sigma}}_{\mathbf{k}}$ show a pseudogap formation near the Fermi level of the quasiparticle band.
Dynamical mean-field theory computations of the electron self energy of the Hubbard-Holstein model as a function of electron-phonon and electron-electron interactions are analyzed to gain insight into the dependence of electron-phonon couplings on correlation strength in quantum materials. We find that the electron-phonon interaction is strongly suppressed by electronic correlations, while electron-electron correlation effects at Fermi liquid scales are only weakly modified by coupling to phonons, with phonon-induced modifications most evident at high frequencies on the order of the electronic bandwidth. Implications for beyond-density functional theories of the electron-phonon interaction are discussed.
We present a dynamical mean-field study of nonperturbative electronic mechanisms, which may lead to significant enhancements of the electron-phonon coupling in correlated electron systems. Analyzing the effects of electronic correlations on the lowest-order electron-phonon processes, we show that in the proximity of the Mott metal-to-insulator transition of the doped square lattice Hubbard model, where the isothermal charge response becomes particularly large at small momenta, the coupling of electrons to the lattice is strongly increased. This, in turn, induces significant corrections to both the electronic self-energy and phonon-mediated pairing interaction, indicating the possible onset of a strong interplay between lattice and electronic degrees of freedom even for small values of the bare electron-phonon coupling.
The properties of the electron-phonon interaction in the presence of a sizable electronic repulsion at finite doping are studied by investigating the metallic phase of the Hubbard-Holstein model with dynamical mean-field theory. Analyzing the quasiparticle weight at finite doping, we find that a large Coulomb repulsion reduces the effect of electron-phonon coupling at low energy, while this reduction is not present at high energy. The renormalization of the electron-phonon coupling induced by the Hubbard repulsion depends in a surprisingly strong and nontrivial way on the phonon frequency. Our results suggest that phonon might affect differently high-energy and low-energy properties and this, together with the effect of phonon dynamics, should be carefully taken into account when the effects of the electron-phonon interaction in a strongly correlated system, like the superconducting cuprates, are discussed.
We develop a generalization of the ghost-rotationally-invariant slave-boson (ghost-RISB) method that incorporates local phonon modes coupled to arbitrary on-site electronic degrees of freedom, enabling a nonperturbative treatment of electron-electron and electron-phonon interactions within an efficient variational framework. The method extends the ghost-orbital construction to capture dynamical self-energy effects and phonon-induced renormalizations beyond static slave-boson approaches. Benchmarking against dynamical mean-field theory (DMFT) results for the Hubbard-Holstein model, we find excellent quantitative agreement for electron quasiparticle weights and phonon properties across a wide range of coupling strengths, and it captures accurately the competition between electron-electron and electron-phonon interactions. We show that the inclusion of the ghost orbitals is crucial to accurately describe the regime of low-frequency, strongly dynamical, phonons. The extended ghost-RISB achieves this accuracy at a fraction of the computational cost of DMFT, due to its self-consistency rooted in static observables instead of dynamical ones, enabling rapid exploration of correlated electron-phonon phase diagrams. We exploit this advantage to characterize the most demanding regime of strong coupling and adiabatic phonons. Our analysis shows a suppression of the superconducting order parameter, which is interpreted as a Franck-Condon-like reduction of the overlap between the phonon wavefunctions associated with empty and doubly-occupied sites in the bipolaronic regime.