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The cross over from low to high carrier densities in a many-polaron system is studied in the framework of the one-dimensional spinless Holstein model, using unbiased numerical methods. Combining a novel quantum Monte Carlo approach and…

Strongly Correlated Electrons · Physics 2007-05-23 M. Hohenadler , D. Neuber , W. von der Linden , G. Wellein , J. Loos , H. Fehske

The Rice-Sneddon model for BaBiO$_3$ is a nice model Hamiltonian for considering the properties of polarons and bipolarons in a three-dimensional oxide crystal. We use exact diagonalization methods on finite samples to study the stability…

Condensed Matter · Physics 2009-10-28 Vladimir N. Kostur , Philip B. Allen

We explore the quasiparticle properties of lattice polarons on the basis of a quite general electron-phonon Hamiltonian with a long-range displacement-type of interaction. To treat the dynamical quantum phonons without significant loss of…

Strongly Correlated Electrons · Physics 2009-10-31 H. Fehske , J. Loos , G. Wellein

Exact diagonalization calculations show a continuous transition from delocalized to small polaron behavior as a function of intersite electron-lattice coupling. A transition, found previously at Hartree-Fock level [Yonemitsu et al., Phys.…

Condensed Matter · Physics 2008-06-16 J. Lorenzana , A. Dobry

We study the finite-temperature transport of electrons coupled to anharmonic local phonons. Our focus is on the high-temperature incoherent regime, where controlled calculations are possible both for weak and strong electron--phonon…

Strongly Correlated Electrons · Physics 2021-10-22 Attila Szabó , S. A. Parameswaran , Sarang Gopalakrishnan

The one-electron spectral function of the Holstein-Hubbard bipolaron in one dimension is studied using cluster perturbation theory together with the Lanczos method. In contrast to other approaches, this allows one to calculate the spectrum…

Strongly Correlated Electrons · Physics 2007-06-13 Martin Hohenadler , Markus Aichhorn , Wolfgang von der Linden

When an electron interacts with phonons, the electron can exhibit either free electron-like or polaron-like properties. The latter tends to occur for very strong coupling, and results in a phonon cloud accompanying the electron as it moves,…

Superconductivity · Physics 2012-11-21 Zhou Li , F. Marsiglio

A new variational technique is developed to investigate the polaronic features of the Holstein Molecular Crystal Model. It is based on a linear superposition of Bloch states that describe large and small polaron wave functions. It is shown…

Materials Science · Physics 2009-10-31 V. Cataudella , G. De Filippis , G. Iadonisi

An analytical variational method is applied to the molecular Holstein Hamiltonian in which the dispersive features of the dimension dependent phonon spectrum are taken into account by a force constant approach. The crossover between a large…

Superconductivity · Physics 2009-11-10 Marco Zoli , A. N. Das

The Holstein model often serves as an archetype for electron-phonon interactions and polaron formation in solids. However, precise descriptions of the Holstein polaron are difficult when the phonon frequency is small and the electron-phonon…

Strongly Correlated Electrons · Physics 2026-03-10 Connor M. Walsh , Igor Boettcher , Frank Marsiglio

The behavior of charge carriers in polar materials is governed by electron-phonon interactions, which affect their mobilities via phonon scattering and may localize carriers into self-induced deformation fields, forming self-trapped…

Materials Science · Physics 2025-07-08 Vasilii Vasilchenko , Matteo Giantomassi , Samuel Poncé , Xavier Gonze

Spectral, optical and transport properties of an anisotropic three-dimensional Holstein model are studied within the adiabatic approximation. The parameter regime is appropriate for organic semiconductors used in single crystal based field…

Strongly Correlated Electrons · Physics 2015-05-27 C. A. Perroni , A. Nocera , V. Marigliano Ramaglia , V. Cataudella

The spectral weight functions and the optical conductivity of the Holstein model are studied on a one-dimensional six-site lattice with periodic boundary conditions for three different electron concentrations: a single electron, two…

Strongly Correlated Electrons · Physics 2009-10-31 Chunli Zhang , Eric Jeckelmann , Steven R. White

The optical conductivity of charge carriers coupled to quantum phonons is studied in the framework of the one-dimensional spinless Holstein model. For one electron, variational diagonalisation yields exact results in the thermodynamic…

Strongly Correlated Electrons · Physics 2007-06-13 Jan Loos , Martin Hohenadler , Andreas Alvermann , Holger Fehske

Starting from recent advances in the first-principles modeling of polarons, variational polaron equations in the strong-coupling adiabatic approximation are formulated in Bloch space. In this framework, polaron formation energy as well as…

Materials Science · Physics 2022-06-09 Vasilii Vasilchenko , Andriy Zhugayevych , Xavier Gonze

Starting from the $\pi$-electron Pariser-Parr-Pople (PPP) Hamiltonian which includes both strong electron-phonon and electron-electron interactions, we propose some strongly correlated wave functions of increasing quality for the ground…

Condensed Matter · Physics 2009-10-31 S. Pleutin , J-L Fave

Polarons can naturally form in materials from the interaction of extra charge carriers with the atomic lattice. Ubiquitous, they are central to various topics and phenomena such as high-T$_c$ superconductivity, electrochromism,…

Materials Science · Physics 2024-11-05 Hamideh Hassani , Eric Bousquet , Xu He , Bart Partoens , Philippe Ghosez

The coherent dynamics of a Holstein polaron in strong electric fields is considered under different regimes. Using analytical and numerical analysis, we show that even for small hopping constant and weak electron-phonon interaction, the…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Wei Zhang , Alexander O. Govorov , Sergio E. Ulloa

We investigate the dimensionality effects of the Holstein polaron from the fully quantum regime, where the crossover between large and small polaron solutions is known to be continuous in all dimensions, into the limit described by the…

Other Condensed Matter · Physics 2009-11-13 P. Hamm , G. P. Tsironis

Multipolaron solutions were studied in the framework of the Holstein one-dimensional molecular crystal model. The study was performed in the continuous limit where the crystal model maps into the nonlinear Schr\"odinger equation for which a…

Statistical Mechanics · Physics 2019-10-18 N. Bondarenko , O. Eriksson , N. V. Skorodumova , M. Pereiro