Related papers: Lattice dynamics and electron-phonon coupling calc…
In a finite volume, resonances and multi-hadron states are identified by discrete energy levels. When comparing the results of lattice QCD calculations to scattering experiments, it is important to have a way of associating the energy…
We present the appearance of nearly flat band states with nonzero Chern numbers in a two-dimensional "diamond-octagon" lattice model comprising two kinds of elementary plaquette geometries, diamond and octagon, respectively. We show that…
We investigated the lattice dynamics of the unconventional superconductor LiFeAs using inelastic neutron scattering experiments and density-functional theory (DFT) calculations. By comparing the neutron scattering intensities with…
We introduce a new linear response method to study the lattice dynamics of materials with strong correlations. It is based on a combination of dynamical mean field theory of strongly correlated electrons and the local density functional…
Recently it has been suggested that the role of electron-phonon coupling in the mechanism of iron-based superconductors may have been underestimated and that the antiferromagnetism and the induced xy potential may even have a dramatic…
We present the numerically exact ground state energy, effective mass, and isotope exponents of a one-dimensional lattice polaron, valid for any range of electron-phonon interaction, applying a new continuous-time Quantum Monte Carlo (QMC)…
A model-independent approach capable of extracting spin-wave frequencies and displacement vectors from ensembles of supercell spin configurations is presented. The method is appropriate for those systems whose spin-dynamical motion is well…
Electron-phonon coupling (EPC) governs lattice dynamics, charge transport, and collective electronic phases in quantum materials. In several families of unconventional superconductors, including transition-metal dichalcogenides and kagome…
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…
Calculating the properties of baryon resonances from quantum chromodynamics requires evaluating the temporal correlations between hadronic operators using integrations over field configurations weighted by a phase associated with the…
The latest experimental measurements of the hyperfine splitting $E_{\rm{hfs}}=M_{\Upsilon(1 S)}-M_{\eta_b(1 S)}$ done by the Belle collaboration and the perturbative and lattice QCD predictions show a tension with the current extraction…
The frozen-phonon method, used to calculate electron-phonon coupling effects, requires calculations of the investigated structure using atomic coordinates displaced according to a certain phonon eigenmode. The process of "freezing-in" the…
Guided by a stylized experiment we develop a self-consistent anharmonic phonon concept for nonlinear lattices which allows for explicit "visualization." The idea uses a small external driving force which excites the front particles in a…
Relying on the anharmonic special displacement method, we introduce an ab initio quasistatic polymorphous framework to describe local disorder, anharmonicity, and electron-phonon coupling in superionic conductors. Using the example of cubic…
Phonon coherence elucidates the propagation and interaction of phonon quantum states within superlattice, unveiling the wave-like nature and collective behaviors of phonons. Taking MoSe$_2$/WSe$_2$ lateral heterostructures as a model…
We study the electron-phonon coupling strength near the interface of monolayer and bilayer FeSe thin films on SrTiO$_3$, BaTiO$_3$, and oxygen-vacant SrTiO$_3$ substrates, using ab initio methods. The calculated total electron-phonon…
Motivated by model calculations for the heavy fermion superconductor CePt3Si predicting phonon anomalies because of anti-symmetric spin-orbit coupling we performed a detailed experimental study of the lattice dynamical properties of…
We study the vibrational spectrum of the protonated water dimer, by means of a divide-and-conquer semiclassical initial value representation of the quantum propagator, as a first step in the study of larger protonated water clusters. We use…
In this work, we perform ab initio calculations, based on the density functional theory, of the effects on the graphene bilayer when we intercalate carbon atoms between the layers. We use the unit cell of the bilayer to construct larger…
We present a simplified computational scheme in order to calculate the effects of electron correlations on the energy bands of diamond and silicon. By adopting a quasiparticle picture we compute first the relaxation and polarization effects…