相关论文: Electron-phonon interaction contribution to the to…

The Quasi-harmonic (QH) approximation uses harmonic vibrational frequencies omega(H,Q,V), computed at volumes V near the volume where the Born-Oppenheimer (BO) energy is minimum. When this is used in the harmonic free energy, QH…

We present extensive new \emph{ab initio} path integral Monte Carlo (PIMC) simulations of the harmonically perturbed uniform electron gas (UEG) for different densities and temperatures. This allows us to study the linear response of the UEG…

Based on a recent exchange--correlation kernel developed within Time--Dependent--Density--Functional Theory we derive a practical and general expression for the three--point vertex function. We show that excitonic effects in LiF strongly…

We study electron-phonon interaction and related transport properties of nodal-line semimetal ZrSiS using first-principles calculations. We find that ZrSiS is characterized by a weak electron-phonon coupling on the order of 0.1, which is…

We present a quantum optics formalism to study intensity power broadening of a semiconductor quantum dot interacting with an acoustic phonon bath and a high $Q$ microcavity. Power broadening is investigated using a time-convolutionless…

A first principles analysis of order-disorder transition in alloys shows that ordering energy is a function of temperature due to thermal vibrations. The inter-nuclear potential energy term converges if zero point vibrations are…

We report quasiparticle-energy calculations of the electronic bandstructure as measured by valence-band photoemission for selected II-VI compounds and group-III-nitrides. By applying GW as perturbation to the ground state of the fictitious,…

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…

We demonstrate that fermion-boson models with nonlocal interactions can be simulated at finite band filling with the continuous-time quantum Monte Carlo method. We apply this method to explore the influence of the electron-phonon…

We use determinant quantum Monte Carlo to study the single particle properties of quasiparticles and phonons in a variant of the two-dimensional Holstein model that includes an additional non-linear electron-phonon (e-ph) interaction. We…

Accurately assessing the impact of electron-phonon interaction (EPI) on the lattice thermal conductivity of semiconductors is crucial for the thermal management of electronic devices and a unified physical understanding of this issue is…

We study the interplay between the electron-electron (e-e) and the electron-phonon (e-ph) interactions in the two-orbital Hubbard-Holstein model at half filling using the dynamical mean field theory. We find that the e-ph interaction, even…

The electronic self-energy is studied for a two dimensional electron gas coupled to a spin-orbit Rashba field and interacting with dispersionless phonons. For the case of a momentum independent electron-phonon coupling (Holstein model) we…

Semiconductor quantum dots (QDs) in photonic nanocavities provide monolithic, robust platforms for both quantum information processing and cavity quantum electrodynamics (QED). An inherent feature of such solid-state cavity QED systems is…

The electron-phonon interaction contribution to the electronic energies is included in density functional total energy calculations with ab initio pseudopotentials via the Allen formalism [Phys. Rev. B 18, 5217 (1978)] to obtain temperature…

Electron-phonon coupling (EPC) is key for understanding many properties of materials such as superconductivity and electric resistivity. Although first principles density-functional-theory (DFT) based EPC calculations are used widely, their…

The theory of EPI with strong forward scattering peak (FSP)[1-3] is recently applied in [4-5] in studying high Tc(~100 K) in a FeSe grown on SrTiO3 [4] and TiO2 [6]. The EPI is due to a long-range dipolar electric field created by the…

Coherent phonons, light-induced coherent lattice vibrations in solids, provide a powerful route to engineer structural and electronic degrees of freedom using light. In this manuscript, we formulate an ab initio theory of the displacive…

We present quasiparticle (QP) energies from fully self-consistent $GW$ (sc$GW$) calculations for a set of prototypical semiconductors and insulators within the framework of the projector-augmented wave methodology. To obtain converged…

The effect of phonons on a nonlinear optical response of a quantum dot-cavity system in quantum strong coupling regime can be accounted for by a fully analytical treatment, provided that the exciton-phonon dynamics is much faster than the…