Related papers: Lattice-dynamical calculation of phonon scattering…
We compute both electron- and phonon transmissions in thin disordered silicon nanowires. Our atomistic approach is based on tight-binding and empirical potential descriptions of the electronic and phononic systems, respectively. Surface…
The embedding method for the calculation of the conductance through interacting systems connected to single channel leads is generalized to obtain the full complex transmission amplitude that completely characterizes the effective…
Slow dynamics of energy transfer between different phonon modes under the resonance conditions is considered. It may result in new effects in the inelastic and quasielastic neutron scattering spectra.
Phonon transmission across epitaxial interfaces is studied within the lattice dynamic approach. The transmission shows weak dependence on frequency for the lattice wave with a fixed angle of incidence. The dependence on azimuth angle is…
We derive the transmission coefficient, $T(\omega)$, for grazing incidence of crystals with spatial dispersion accounting for the excitation of multiple modes with different wave vectors ${\bf k}$ for a given frequency $\omega$. The…
Structuring materials is one mechanism to influence the thermal conductivity and thus thermoelectric efficiency. In order to investigate the scattering of phonons in multilayer structures we developed a beam matching technique, which is…
Information over the phonon band structure is crucial to predicting many thermodynamic properties of materials, such as thermal transport coefficients. Highly accurate phonon dispersion curves can be, in principle, calculated in the…
The effect of the electron-phonon interaction on magnetization relaxation is studied within the framework of first-principles scattering theory for Fe, Co, and Ni by displacing atoms in the scattering region randomly with a thermal…
We integrate the one-dimensional nonlinear Schr\"odinger equation numerically for solitons moving in external potentials. In particular, we study the scattering off an interface separating two regions of constant potential modeled by a…
The full phonon dispersion relations of lead titanate and lead zirconate in the cubic perovskite structure are computed using first-principles variational density-functional perturbation theory, with ab initio pseudopotentials and a…
We apply the compressive sensing lattice dynamics (CSLD) method to calculate phonon dispersion for crystalline solids. While existing methods such as frozen phonon, small displacement, and linear response are routinely applied for phonon…
A numerical investigation of time-separated charge overlap measurements is carried out for the pion in the context of lattice QCD using smeared Wilson fermions. The evolution of the charge distribution function is examined and the expected…
We employ the diagrammatic Monte Carlo method based on lattice path-integral representaion of the particle sector and real-space diagrammatics of the phonon sector to study effects of optical phonon dispersion on Bose-Einstein condensation…
Because electrons and ions form a coupled system, it is a priori clear that the dynamics of the lattice should reflect symmetry breaking within the electronic degrees of freedom. This has been recently clearly evidenced for the case of…
We investigate the scattering of an electron by phonons in a small structure between two one-dimensional tight-binding leads. This model mimics the quantum electron transport through atomic wires or molecular junctions coupled to metallic…
We show an efficient way to compute the electron-phonon coupling constant, $\lambda$, and the superconducting transition temperature, Tc from first-principles calculations. This approach gives rapid convergence of Tc with respect to the…
We study a phononic crystal interacting with an artificial atom { a superconducting quantum system { in the quantum regime. The phononic crystal is made of a long lattice of narrow metallic stripes on a quatz surface. The artificial atom in…
The elastic collective modes of a moir\'e superlattice arise not from vibrations of a rigid crystal but from the relative displacement between the constituent layers. Despite their similarity to acoustic phonons, these modes, called…
This study presents the first-principles phonon calculations to understand the experimental thermal expansion ($\alpha(T)$) and lattice thermal conductivity ($\kappa_{L}$) of CoSi at high temperature region. Phonon dispersion is computed…
The impact of lattice type, period, porosity and thickness of two-dimensional silicon phononic crystals on the reduction of thermal conductance by coherent modification of phonon dispersion is investigated using the theory of elasticity and…