Related papers: High-throughput analysis of Fr\"ohlich-type polaro…
The polaron concept captures physical situations involving an itinerant quantum particle (excitation) that interacts strongly with bosonic degrees of freedom and becomes heavily boson-dressed. While the Gerlach-L\"{o}wen theorem rules out…
Band structures encode electronic, optical, and acoustic properties of matter and can serve as an essential tool in material discovery and design. Dispersion anomalies -- sharp, non-standard features in the frequency-wavenumber relation --…
In the large polaron model of H. Froehlich, the electron-phonon interaction is a small perturbation in form sense, but a large perturbation in operator sense. This means that the form-domain of the Hamiltonian is not affected by the…
Anisotropic electron-phonon interaction is shown to lead to the anisotropic polaron effect. The resulting anisotropy of the polaron band is an exponential function of the electron-phonon coupling and might be as big as $10^3$. This also…
We study the bound states of a three-dimensional Holstein polaron near various kinds of single impurities, using the momentum average approximation. We show that the electron-phonon coupling is responsible for a strong renormalization of…
We review the recent theoretical treatment of fullerenes as pi-conjugated systems. Polaronic properties due to the Jahn-Teller type effects are mainly discussed. (1) A Su-Schrieffer-Heeger type electron-phonon model is applied to…
We investigate the scattering of an electron by phonons in a small structure between two one-dimensional tight-binding leads. This model mimics the quantum electron transport through atomic wires or molecular junctions coupled to metallic…
The polaron features due to electron-phonon interactions with different coupling ranges are investigated by adopting a variational approach. The ground-state energy, the spectral weight, the average kinetic energy, the mean number of…
The optical properties of polarons are studied in the framework of the Holstein model by applying the dynamical mean-field theory. This approach allows to enlighten important quantitative and qualitative deviations from the limiting…
Electron-phonon interactions in solids are crucial for understanding many interesting phenomena, such as conventional superconductivity, temperature-dependent band-gap renormalization, and polarons. For harmonic materials, the linear…
The interplay of the electron-phonon interaction and of the double and super exchange magnetic effects is analyzed in the $La_{1-x}Ca_xMnO_3$ perovskites with $0<x<0.5$. By using an analytical variational scheme that allows to treat the…
This article reviews the theory of electron-phonon interactions in solids from the point of view of ab-initio calculations. While the electron-phonon interaction has been studied for almost a century, predictive non-empirical calculations…
The Migdal-Eliashberg theory (MET) describes electrons interacting with phonons in the adiabatic limit when the phonon Debye frequency is much smaller than the Fermi energy. A conventional belief is that MET holds even at strong coupling,…
We present a theoretical framework to describe polarons from first principles within a many-body Green's function formalism. Starting from a general electron-phonon Hamiltonian, we derive a self-consistent Dyson equation in which the…
First-principles calculations of electron interactions in materials have seen rapid progress in recent years, with electron-phonon (e-ph) interactions being a prime example. However, these techniques use large matrices encoding the…
We study the Hubbard-Holstein model using slave-boson mean-field and a variation al Lang-Firsov transformation. We identify weak and strong e-ph coupling solutions, whose stability depends both on the bare e-ph coupling and on the…
We show that the commonly used lowest-order theory of phonon-phonon interactions frequently fails to accurately describe the anharmonic phonon decay rates and thermal conductivity ($\kappa$), even among strongly bonded crystals. Applying a…
Information over the phonon band structure is crucial to predicting many thermodynamic properties of materials, such as thermal transport coefficients. Highly accurate phonon dispersion curves can be, in principle, calculated in the…
Electron--phonon (e--ph) coupling governs electrical resistivity, hot-carrier cooling, and critically, thermal transport in solids. Recent first-principles advances now predict e--ph limited thermal conductivity from d-band metals and…
In one dimension the coupling of electrons to phonons leads to a transition from a metallic to a Peierls distorted insulated state if the coupling exceeds a critical value. On the other hand, in two dimensions the electron-phonon…