Related papers: Electron-phonon couplings in polymorphous crystals
The three band p-d model of strongly correlated electrons interacting with optical phonon via diagonal and off-diagonal electron-phonon interaction is considered within cluster perturbation theory. At first step the exact diagonalization of…
In crystals, molecules thermally vibrate around the periodic lattice sites. Vibrational motions are well understood in terms of phonons, which carry heat and control heat transport. The situation is notably different in disordered solids,…
The electronic structure of condensed matter can be significantly affected by the electron-phonon interaction, leading to important phenomena such as electrical resistance, superconductivity or the formation of polarons. This interaction is…
While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…
We investigate the multielectron effects on high-harmonic generation from solid-state materials using the time-dependent Hartree-Fock theory. We find qualitative change in harmonic spectra, in particular, multiple-plateau formation at…
We consider the formation and stability of the vibronic polaron arising in a degenerate or nearly degenerate electronic system coupled to an appropriate vibrational mode. We define the electron-phonon coupling as a mixing of the electronic…
The results of electronic structure calculations for a variety of palladium hydrides are presented. The calculations are based on density functional theory and used different local and semilocal approximations. The thermodynamic stability…
We show that in crystals where light ions are symmetrically intercalated between heavy ions, the electron-phonon coupling for carriers located at the light sites cannot be described by a Holstein model. We introduce the double-well…
Dynamical mean-field theory computations of the electron self energy of the Hubbard-Holstein model as a function of electron-phonon and electron-electron interactions are analyzed to gain insight into the dependence of electron-phonon…
Highly-excited single-particle states in nuclei are coupled with the excitations of a more complex character, first of all with collective phonon-like modes of the core. In the framework of the quasiparticle-phonon model we consider the…
Stability is one of the key issues in mixed-halide perovskite alloys which are promising in emergent optoelectronics. Previous density-functional-theory (DFT) and machine learning studies indicate that the formation-energy convex hulls of…
The existence of more than one steady-state in a many-body quantum system driven out-of-equilibrium has been a matter of debate, both in the context of simple impurity models and in the case of inelastic tunneling channels. In this Letter,…
While methods based on density-functional perturbation theory have dramatically improved our understanding of electron-phonon contributions to transport in materials, methods for accurately capturing electron-electron scattering relevant to…
We study the local states within the polariton bandgap that arise due to deep defect centers with strong electron-phonon coupling. Electron transitions involving deep levels may result in alteration of local elastic constants. In this case,…
Solid He is studied in the pressure and temperature ranges 1-40 TPa and 0-10,000 K using first-principles methods. Anharmonic vibrational properties are calculated within a self-consistent field framework, including the internal and free…
Understanding the vibrational and thermal properties of amorphous solids is one of the most discussed and long-standing issues in condensed matter physics. Recent works have made significant steps towards understanding harmonic vibrational…
We analyze Cooper pairing instabilities in strongly driven electron-phonon systems. The light-induced non-equilibrium state of phonons results in a simultaneous increase of the superconducting coupling constant and the electron scattering.…
Understanding nonequilibrium electron-phonon interactions at the microscopic level and on ultrafast timescales is a central goal of modern condensed matter physics. Combining time- and angle-resolved extreme ultraviolet photoemission…
A review of the present state of investigations of the pseudospin-electron model (PEM), which is used in the theory of strongly correlated electron systems, is given. The model is used to describe the systems with the locally anharmonic…
The dynamics of coherent electron-phonon (el-ph) states is investigated for a suspended nanostructure. Exact quantum dynamics calculations reveal that electron and phonons (comprising a thermal bath) couple quantum mechanically to perform…