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arXiv:cond-mat/0412243 · Physical Review B

Effects of electron-phonon coupling near and within the insulating Mott phase

C. A. Perroni, V. Cataudella, G. De Filippis, Vincenzo Marigliano Ramaglia

Published Mar 31, 2005• 18 citations
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Abstract

The role of the electron-phonon interaction in the Holstein-Hubbard model is investigated in the metallic phase close to the Mott transition and in the insulating Mott phase. The model is studied by means of a variational slave boson technique. At half-filling, mean-field static quantities are in good agreement with the results obtained by numerical techniques. By taking into account Gaussian fluctuations, an analytic expression of the spectral density is derived in the Mott insulating phase showing that an increase of the electron-phonon coupling leads to a sensitive reduction of the Mott gap through a reduced effective repulsion. The relation of the results with recent experimental observations in strongly correlated systems is discussed.

DOI
10.1103/physrevb.71.113107

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The role of the electron-phonon interaction in the Holstein-Hubbard model is investigated in the metallic phase close to the Mott transition and in the insulating Mott phase. The model is studied by means of a variational slave boson technique. At half-filling, mean-field static quantities are in good agreement with the results obtained by numerical techniques. By taking into account Gaussian fluctuations, an analytic expression of the spectral density is derived in the Mott insulating phase showing that an increase of the electron-phonon coupling leads to a sensitive reduction of the Mott gap through a reduced effective repulsion. The relation of the results with recent experimental observations in strongly correlated systems is discussed.
The effect of Holstein electron-phonon interaction on a Hubbard model close to a Mott-Hubbard transition at half filling is investigated by means of dynamical mean-field theory. We observe a reduction of the effective mass that we interpret in terms of a reduced effective repulsion. When the repulsion is rescaled to take into account this effect, the quasiparticle low-energy features are unaffected by the electron-phonon interaction. Phonon features are only observed within the high-energy Hubbard bands. The lack of electron-phonon fingerprints in the quasiparticle physics can be explained interpreting the quasiparticle motion in terms of rare fast processes.
We investigate metal-insulator transitions in the half-filled Holstein-Hubbard model as a function of the on-site electron-electron interaction U and the electron-phonon coupling g . We use several different numerical methods to calculate the phase diagram, the results of which are in excellent agreement. When the electron-electron interaction U is dominant, the transition is to a Mott insulator; when the electron-phonon interaction dominates, the transition is to a localized bipolaronic state. In the former case, the transition is always found to be second order. This is in contrast to the transition to the bipolaronic state, which is clearly first order for larger values of U . We also present results for the quasiparticle weight and the double occupancy as functions of U and g .
We present results on the dynamical correlation functions of the particle-hole symmetric Holstein-Hubbard model at zero temperature, calculated using the dynamical mean-field theory which is solved by the numerical renormalization group method. We clarify the competing influences of the electron-electron and electron-phonon interactions particularity at the different metal to insulator transitions. The Coulomb repulsion is found to dominate the behavior in large parts of the metallic regime. By suppressing charge fluctuations, it effectively decouples electrons from phonons. The phonon propagator shows a characteristic softening near the metal to bipolaronic transition but there is very little softening on the approach to the Mott transition.
We investigate metal-insulator transitions in the half-filled Holstein-Hubbard model as a function of the on-site electron-electron interaction U and the electron-phonon coupling g. We use several different numerical methods to calculate the phase diagram, the results of which are in excellent agreement. When the electron-electron interaction U is dominant the transition is to a Mott-insulator; when the electron-phonon interaction dominates, the transition is to a localised bipolaronic state. In the former case, the transition is always found to be second order. This is in contrast to the transition to the bipolaronic state, which is clearly first order for larger values of U. We also present results for the quasiparticle weight and the double-occupancy as function of U and g.
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.
The Hubbard-Holstein model describes fermions on a discrete lattice, with on-site repulsion between fermions and a coupling to phonons that are localized on sites. Generally, at half-filling, increasing the coupling ggg to the phonons drives the system towards a Peierls charge density wave state, whereas increasing the electron-electron interaction UUU drives the fermions into a Mott antiferromagnet. At low ggg and UUU, or when doped, the system is metallic. In one dimension, using quantum Monte Carlo simulations, we study the case where fermions have a long-range coupling to phonons, with characteristic range $\ensuremath{\xi}$, interpolating between the Holstein and Fr\"ohlich limits. Without electron-electron interaction, the fermions adopt a Peierls state when the coupling to the phonons is strong enough. This state is destabilized by a small coupling range $\ensuremath{\xi}$ and leads to a collapse of the fermions, and, consequently, phase separation. Increasing interaction UUU will drive any of these three phases (metallic, Peierls, phase separation) into a Mott insulator phase. The phase separation region is once again present in the $U\ensuremath{\ne}0$ case, even for small values of the coupling range.