Related papers: Electron-phonon coupling and energy flow in a simp…
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…
We investigate the ultrafast dynamics of photo-induced non-thermal lattice disorder in a polycrystalline aluminium thin film to elucidate transient short- and long-range lattice distortions, their thermalization and electron-phonon coupling…
Using the two-temperature model for ultrafast matter (UFM), we compare the equation of state, pair-distribution functions $g(r)$, and phonons using the neutral pseudoatom (NPA) model with results from density-functional theory (DFT) codes…
A theoretical approach using ab initio calculations has been applied to study the interaction of an ultra-short laser pulse with the metal alloy Fe$_{0.72}$Cr$_{0.18}$Ni$_{0.1}$ (AISI 304). The electronic structure is simulated by taking…
The phonon density-of-states of transition metal diborides TMB2 with TM = Ti, V, Ta, Nb and Y has been measured using the technique of inelastic neutron scattering. The experimental data are compared with ab initio density functional…
We investigate the interactions of photoexcited carriers with lattice vibrations in thin films of the layered transition metal dichalcogenide (TMDC) WSe$_2$. Employing femtosecond electron diffraction with monocrystalline samples and first…
The interactions between electrons and lattice vibrational modes play the key role in determining the carrier transport properties, thermoelectric performance and other physical quantities related to phonons in semiconductors. However, for…
Magnetic materials are crucial for manipulating electron spin and magnetic fields, enabling applications in data storage, spintronics, charge transport, and energy conversion, while also providing insight into fundamental quantum phenomena.…
Ab initio downfolding describes the electronic structure of materials within a low-energy subspace, often around the Fermi level. Typically starting from mean-field calculations, this framework allows for the calculation of one- and…
The dynamical interplay between electron-electron interactions and electron-phonon coupling is investigated within the Anderson-Holstein model, a minimal model for open quantum systems that embody these effects. The influence of phonons on…
We investigate an exact nonequilibrium solution of a two-site electron-phonon model, where an infrared-active phonon that is nonlinearly coupled to the electrons is driven by a laser field. The time-resolved electronic spectrum shows…
Spectral distribution functions of electron-phonon interaction $\alpha^2F(\omega )$ obtained by ab initio linear--response calculations are used to describe various superconducting and transport properties in a number of elemental metals…
Femtosecond laser excitation of solid-state systems creates non-equilibrium hot electrons that cool down by transferring their energy to other degrees of freedom and ultimately to lattice vibrations of the solid. By combining ab initio…
We investigate the effect of electron-phonon coupling on low temperature phases in metallic single-wall carbon nanotubes. We obtain low-temperature phase diagrams of armchair and zigzag type nanotubes with screened interactions with a…
We recently developed an approach for calculation of the electron-phonon (electron-ion in a more general case) coupling in materials based on tight-binding molecular dynamics simulations. In the present work we utilize this approach to…
We reexamine the putative Peierls transition in a (5,5) metallic nanotube. We show that the conduction electrons at the Fermi level do not couple to the longitudinal acoustic phonon but rather to a folded-in graphene zone edge phonon having…
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…
The thermal transport across metal-insulator interface can be characterized by electron-phonon interaction through which an electron lead is coupled to a phonon lead if phonon-phonon coupling at the interface is very weak. We investigate…
We provide a comprehensive solution to the lattice dynamics problem in the two dimensional Holstein model at finite electron density and finite temperature. We work in the physically relevant adiabatic regime and vary the electron-phonon…
Anomalous thermal expansion behaviour of several open frame-work compounds has been extensively investigated using the techniques of inelastic neutron scattering and lattice dynamics. These compounds involve increasing level of structural…