Related papers: Fr\"ohlich electron-phonon vertex from first princ…
We combine the fully anisotropic Migdal-Eliashberg theory with electron-phonon interpolation based on maximally-localized Wannier functions, in order to perform reliable and highly accurate calculations of the anisotropic…
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…
Starting from the Flohlich electron-phonon model, which has a history of 50 years, a new unitary transformation is proposed to implement the perturbation treatment. Our main results are: (1)The phonon-induced interaction shows a crossover…
Phonon polaritons (PhPs) (light coupled to lattice vibrations) in the highly anisotropic polar layered material molybdenum trioxide (\alpha-MoO_3) are currently the focus of intense research efforts due to their extreme subwavelength field…
We present a general theory for semiconductor polarons in the framework of the Froehlich interaction between electrons and phonons. The latter is investigated using non-commuting phonon creation/annihilation operators associated with a…
The electron temperature dependent electron density of states, Fermi-Dirac distribution, and electron-phonon spectral function are computed as prerequisites before achieving effective electron-phonon coupling factor. The obtained coupling…
The large variety of complex electronic structure materials and their alloys, offer highly promising directions for improvements in thermoelectric (TE) power factors (PF). Their electronic structure contains rich features, referred to as…
Van der Waals heterostructures, vertical stacks of layered materials, offer newopportunities for novel quantum phenomena which are absent in their constituent components. Here we report the emergence of polaron quasiparticles at the…
The occurrence of thermal transport phenomena is widespread, exerting a pivotal influence on the functionality of diverse electronic and thermo-electric energy-conversion devices. The traditional first-principles theory governing the…
We apply weak-coupling perturbation theory to the Holstein molecular crystal model in order to compute an electron-phonon correlation function characterizing the shape and size of the polaron lattice distortion in one, two, and three…
Recent experiments on metallic nanohybrids have revealed unusually strong electron-phonon effects emerging from nanoscale interfaces, despite the weak coupling character of the constituent bulk materials. Motivated by these observations, we…
We study the crossover from quasi free electron to small polaron in the Holstein model for a single electron by means of both exact and self-consistent calculations in one dimension and on an infinite coordination lattice. We show that the…
The calculation of electron-phonon (e-ph) coupling from first principles is a topic of great interest in materials science, offering a robust, non-empirical framework to understand and predict a wide range of physical phenomena. While…
Calculations combining first-principles electron-phonon ($e$-ph) interactions with the Boltzmann equation enable studies of ultrafast carrier and phonon dynamics. However, in materials with weak Coulomb screening, electrons and holes form…
In this article in the framework of generalized Frolich model we consider electron-spin-phonon system. A parameter of electron-spin-phonon interaction is found. It is shown its interrelation with experiments on isotope-effect on high…
Theoretical analysis dealing with the interaction of electrons with the polar long-wavelength transverse optical (TO) vibrations is presented. The theory is based on the model of a polar crystal with classical potentials, which takes into…
Strong electron-electron interactions are known to significantly modify the electron-phonon coupling relative to the predictions of density functional theory, but this effect is challenging to calculate with realistic theories of strongly…
Acoustic phonons in piezoelectric materials strongly couple to electrons through a macroscopic electric field. We show that this coupling leads to a momentum-dependent divergence of the Fan-Migdal electron linewidth. We then develop a…
The ability to finely tune optoelectronic properties in semiconductors is crucial for the development of advanced technologies, ranging from photodetectors to photovoltaics. In this work, we propose a novel strategy to achieve such…
A semi-implicit Lax-Wendroff scheme is developed for electron-phonon coupling process in metals based on the two-temperature kinetic equations. The core of this method is to integrate the evolution information of physical equations into the…