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AIP conference proceedings

Metallicity of the anharmonic Holstein-Hubbard model in the adiabatic regime

Ch. Uma Lavanya, Ashok Chatterjee

Published Jan 1, 2018• 0 citations
Publisher

Abstract

The Holstein-Hubbard Model in one dimension at half filling with the Gaussian anharmonicity is considered in the present work. In order to solve the Hamiltonian a series of transformations have been applied as a part of the variational calculation approach. The ground state energy of the model is calculated and the existence of metallic phase in the adiabatic regime is observed.

DOI
10.1063/1.5028918

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The Holstein-Hubbard Model in one dimension at half filling with the Gaussian anharmonicity is considered in the present work. In order to solve the Hamiltonian a series of transformations have been applied as a part of the variational calculation approach. The ground state energy of the model is calculated and the existence of metallic phase in the adiabatic regime is observed.
The Holstein-Hubbard model with Gaussian phonon anharmonicity is studied in one-dimension at half filling using a variational method based on a series of canonical transformations. A fairly accurate phonon state is chosen to average the transformed Holstein-Hubbard Hamiltonian to obtain an effective Hubbard model which is then solved using the exact Bethe - ansatz following Lieb and Wu to obtain the ground state energy, the average lattice displacement and the renormalized parameters. The Mott-Hubbard criterion, local spin moment and the von Neumann entropy (which is a measure of quantum entanglement) are calculated to determine the ground state phase diagram which shows that the width of the metallic phase flanked by the SDW and CDW phases increases with increasing anharmonicity at low and moderate values of anharmonicity but eventually saturates when the anharmonicity becomes substantially large.
Abstract The one-dimensional Holstein–Hubbard model is analyzed at half filling at the CDW-SDW transition region by using a series of unitary transformations. The phonon degrees of freedom are eliminated by averaging the transformed Hamiltonian with respect to a generalized many-phonon state and the resulting effective electronic Hamiltonian is finally solved exactly by employing the Bethe-ansatz technique. The present variational state leads to a lower ground state energy as compared to those obtained from the previous variational calculations and yields a wider intermediate metallic phase at the SDW-CDW transition region confirming the prediction of Takada and Chatterjee.
The nature of phase transition from an antiferromagnetic SDW polaronic Mott insulator to the paramagnetic bipolaronic CDW Peierls insulator is studied for the half-filled Holstein-Hubbard model in one dimension in the presence of Gaussian phonon anharmonicity. A number of unitary transformations performed in succession on the Hamiltonian followed by a general many-phonon averaging leads to an effective electronic Hamiltonian which is then treated exactly by using the Bethe-Ansatz technique of Lieb and Wu to determine the energy of the ground state of the system. Next using the Mott-Hubbard metallicity condition, local spin-moment calculation, and the concept of quantum entanglement entropy and double occupancy, it is shown that in a plane spanned by the electron-phonon coupling coefficient and onsite Coulomb correlation energy, there exists a window in which the SDW and CDW phases are separated by an intermediate phase that is metallic.
The half-filled one-dimensional Holstein-Hubbard model presents, at zero temperature, a charge-density-wave (CDW) phase and a Mott insulator phase. Recent results have shown that the transition from one phase to the other might proceed through an intermediate metallic phase. In this work, we determine the CDW phase boundary using the variational cluster approximation. Using exact diagonalization and cluster perturbation theory, we study both the pair susceptibility and the spectral gaps in the non-CDW part of the phase diagram. We cannot rule out the existence of an intermediate metallic phase.
The normal state of the Holstein model is studied at half-filling in infinite dimensions and in the adiabatic regime. The dynamical mean-field equations are solved using perturbation expansions around the extremal paths of the effective action for the atoms. We find that the Migdal-Eliashberg expansion breaks down in the metallic state if the electron-phonon coupling $\ensuremath{\lambda}$ exceeds a value of about 1.3 in spite of the fact that the formal expansion parameter $\ensuremath{\lambda}{\ensuremath{\omega}}_{0}{/E}_{F} ({\ensuremath{\omega}}_{0}$ is the phonon frequency, EF{E}_{F}EF​ the Fermi energy) is much smaller than 1. The breakdown is due to the appearance of more than one extremal path of the action. We present numerical results which illustrate in detail the evolution of the local Green's function, the self-energy, and the effective atomic potential as a function of $\ensuremath{\lambda}.$