Related papers: EPW: A program for calculating the electron-phonon…
A systematic analysis of phonon-plasmon coupled excitations in three-dimensional (3D) polar systems is provided through the prism of both raw and integrated electron energy loss spectroscopy (EELS) and phonon spectra in the whole relevant…
We construct a reference database of materials properties calculated using density-functional theory in the local or generalized-gradient approximation, and an all-electron or a projector augmented-wave (PAW) formulation, for verification…
We make a gradient correction to a new local density approximation form of positron-electron correlation. Then the positron lifetimes and affinities are probed by using these two approximation forms based on three electronic-structure…
Maximally-localized Wannier functions (MLWFs) are widely employed as an essential tool for calculating the physical properties of materials due to their localized nature and computational efficiency. Projectability-disentangled Wannier…
Quantum entropies and state distances are analyzed in polaronic systems with short range (Holstein model) and long range (Fr$\ddot{o}$hlich model) electron-phonon coupling. These quantities are extracted by a variational wave function which…
We determined electronic relaxation times via pump-probe optical spectroscopy using sub-15 fs pulses for the normal state of two different cuprate superconductors.We show that the primary relaxation process is the electron-phonon…
In this paper, we provide a theoretical description, and calculate, the nonlinear frequency shift, group velocity and collionless damping rate, $\nu$, of a driven electron plasma wave (EPW). All these quantities, whose physical content will…
Linear response methods are applied to identify the increase in electron-phonon coupling in elemental yttrium that is responsible for its high superconducting critical temperature Tc, which reaches nearly 20 K at 115 GPa. While the…
We present an algorithm that extends existing quantum algorithms for simulating fermion systems in quantum chemistry and condensed matter physics to include bosons in general and phonons in particular. We introduce a qubit representation…
We describe coupled electron-phonon systems semiclassically - Ehrenfest dynamics for the phonons and quantum mechanics for the electrons - using a classical Monte Carlo approach that determines the nonequilibrium response to a large pump…
We propose a fast method for high-throughput screening of potential superconducting materials. The method is based on calculating metallic screening of zone-center phonon modes, which provides an accurate estimate for the electron-phonon…
The concept of exceptional point of degeneracy (EPD) is used to conceive a degenerate synchronization regime that is able to enhance the level of output power and power conversion efficiency for backward wave oscillators (BWOs) operating at…
In this work we present a new method for basis set generation for electronic structure calculations of crystalline solids. This procedure is aimed at applications to Density Functional Theory (DFT). In this construction, Energy Window…
We report an inelastic neutron scattering investigation of phonons with energies up to 159 meV in the conventional superconductor YNi$_2$B$_2$C. Using the SWEEP mode, a newly developed time-of-flight technique involving the continuous…
The coupling between electrons and phonons is at the heart of many fundamental phenomena in physics. In nature, this coupling is generally predetermined for both, molecules and solids. Tremendous advances have been made in controlling…
We obtain analytical expressions for the electron self-energy and the electron-phonon coupling in electron-doped graphene using electron-phonon matrix elements extracted from density functional theory simulations. From the electron…
Molecular motion at metallic surfaces is affected by nonadiabatic effects and electron-phonon coupling. The ensuing energy dissipation and dynamical steering effects are not captured by classical molecular dynamics simulations, but can be…
The origin of charge density wave (CDW) is a long-term open issue. Furthermore, the evolution of phonon-phonon interactions (PPI) across CDW transitions has rarely been investigated. Besides, whether electron-phonon coupling (EPC) would be…
The full-potential linearized augmented-plane wave (FP-LAPW) method is well known to enable most accurate calculations of the electronic structure and magnetic properties of crystals and surfaces. The implementation of atomic forces has…
We consider an electromechanical system where a microwave cavity is coupled to a mechanical resonator, with a mechanical frequency twice the microwave frequency. In this regime, the effective photon-phonon interaction is equivalent to that…