Excitation Spectrum of the Holstein Model

Using the perturbation method based on a variational phonon basis obtained by the modified Lang-Firsov (MLF) transformation, the two-site single polaron Holstein model is studied in presence of a difference in bare site energies ($\epsilon_d$=$\epsilon_2$-$\epsilon_1$). The polaronic ground-state wave function is calculated up to the fifth order of perturbation. The effect of $\epsilon_d$ (acts as a site-energy disorder) on the polaron crossover, polaronic kinetic energy, osc...

We investigate the influence of the electron-phonon coupling in the one-dimensional spinless Holstein model at half-filling using both a recently developed projector-based renormalization method (PRM) and an refined exact diagonalization technique in combination with the kernel polynomial method. At finite phonon frequencies the system shows a metal-insulator transition accompanied by the appearance of a Peierls distorted state at a finite critical electron-phonon coupling. W...

An analytical approach to the one-dimensional spinless Holstein model is proposed, which is valid at finite charge-carrier concentrations. Spectral functions of charge carriers are computed on the basis of self-energy calculations. A generalization of the Lang-Firsov canonical transformation method is shown to provide an interpolation scheme between the extreme weak- and strong-coupling cases. The transformation depends on a variationally determined parameterthat characterize...

The emergence of the bipolaronic phase and the formation of the heavy-electron state in the anharmonic Holstein model are investigated using the dynamical mean-field theory in combination with the exact diagonalization method. For a weak anharmonicity, it is confirmed that the first-order polaron-bipolaron transition occurs from the observation of a discontinuity in the behavior of several physical quantities. When the anharmonicity is gradually increased, the polaron-bipolar...

We study the Holstein polaron in transverse magnetic field using non-perturbational methods. At strong fields and large coupling, we show that the polaron has a Hofstadter spectrum, however very distorted and of lower symmetry than that of a (heavier) bare particle. For weak magnetic fields, we identify non-perturbational behaviour of the Landau levels not previously known.

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 non-linear electron-phonon (e-ph) interaction. We find that a small positive non-linear 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 negativ...

In the spinless Holstein model at half-filling the coupling of electrons to phonons is responsible for a phase transition from a metallic state at small coupling to a Peierls distorted insulated state when the electron-phonon coupling exceeds a critical value. For the adiabatic case of small phonon frequencies, the transition is accompanied by a phonon softening at the Brillouin zone boundary whereas a hardening of the phonon mode occurs in the anti-adiabatic case. The phonon...

A recently developed quantum Monte Carlo approach to the Holstein model with one electron [PRB 69, 024301 (2004)] is extended to two and three dimensional lattices. A moderate sign problem occurs, which is found to diminish with increasing system size in all dimensions, and not to affect simulations significantly. We present an extensive study of the influence of temperature, system size, dimensionality and model parameters on the small-polaron cross over. Results are extrapo...

We present a novel, highly efficient yet accurate analytical approximation for the Green's function of a Holstein polaron. It is obtained by summing all the self-energy diagrams, but with each self-energy diagram averaged over the momenta of its free propagators. The result becomes exact for both zero bandwidth and for zero electron-phonon coupling, and is accurate everywhere in the parameter space. The resulting Green's function satisfies exactly the first six spectral weigh...

A series of weak-coupling perturbation theories which include the lowest-order vertex corrections are applied to the attractive Holstein model in infinite dimensions. The approximations are chosen to reproduce the iterated perturbation theory in the limit of half-filling and large phonon frequency (where the Holstein model maps onto the Hubbard model). Comparison is made with quantum Monte Carlo solutions to test the accuracy of different approximation schemes.