Related papers: Interatomic forces, phonons, the Foreman-Lomer The…
We present a numerical approach to the solution of elastic phonon scattering problems based on a frequency domain decomposition of the atomistic equations of motion and the use of perfectly matched layer or PML boundaries. Unlike MD…
Using first-principles calculations, the phonon frequencies at the $\Gamma$ point and the dielectric tensor are determined and analysed for the cubic and rhombohedral phases of BaTiO$_{3}$. The dipole-dipole interaction is then separated…
A major challenge in high-precision light-pulse atom interferometric experiments such as in tests of the weak equivalence principle is the uncontrollable dependency of the phase on initial velocity and position of the atoms in the presence…
We theoretically investigate a scheme for atom interferometry that surpasses the standard quantum limit. A four-wave mixing scheme similar to the recent experiment performed by Pertot et al. \cite{pertot} is used to generate sub-shot noise…
We consider the prospects for quantum simulation of condensed matter models exhibiting strong electron-phonon coupling using a hybrid platform of trapped laser-cooled ions interacting with an ultracold atomic gas. This system naturally…
The lattice dynamics of Cu3Au, Ni70Pt30, Pd90Fe10, and Pd96Fe04 intermetallic is studied using the DFT calculations. We calculated the phonon dispersions and phonon densities of states along two high symmetry paths of the Brillouin zone by…
An enhanced Fourier law (EFL) that accounts for quasi-ballistic phonon transport effects in a formulation entirely in terms of physical observables, is derived from the Boltzmann transport equation, assuming a gray population of…
Inelastic scattering experiments are key methods for mapping the full dispersion of fundamental excitations of solids in the ground as well as non-equilibrium states. A quantitative analysis of inelastic scattering in terms of phonon…
This paper addresses the first principles description of coherent phonons in systems subjected to optical excitations and/or doping. We reformulate the first-principles Ehrenfest equation (fpEE) [Phys. Rev. X {\bf 13}, 031026 (2023)] in…
Sorting and assigning phonon branches (e.g., longitudinal acoustic) of phonon modes is important for characterizing the phonon bands of a crystal and the determination of phonon properties such as the Gr\"uneisan parameter and group…
Diffusion is the underlying mechanism for many complicated materials phenomena, and understanding it is basic to the discovery of novel materials with desired physical and mechanical properties. Certain groups of solid phases, such as the…
In even-dimensional Euclidean space for integer powers of the Laplacian greater than or equal to the dimension divided by two, a fundamental solution for the polyharmonic equation has logarithmic behavior. We give two approaches for…
The development of a general theoretical framework for describing the behaviour of a crystal driven far from equilibrium has proved difficult1. Microfluidic crystals, formed by the introduction of droplets of immiscible fluid into a…
In the preceding Part II, we derived variational equations for the phonon Fourier amplitudes and for the Fourier amplitudes of the fractional contribution of the electronic bands to the trial variational state. These equations are now…
The well-known physical equivalence drawn from hole theory is applied in this article. The author suggests to replace, in the part of Feynman diagram which cannot be fixed by experiments, each fermion field operator, and hence fermion…
We present an accurate and efficient formulation for the calculation of phonons in real-space Kohn-Sham density functional theory. Specifically, employing a local exchange-correlation functional, norm-conserving pseudopotential in the…
We consider long-wave phonon-polaritons and longitudinal optical phonons in alkali-halide ionic crystals. The model of point charges that are polarized in the self-consistent electromagnetic field in a dielectric environment is used. The…
Anharmonic effects in an atomic monolayer thin crystal with honeycomb lattice structure are investigated by analytical and numerical lattice dynamical methods. Starting from a semi-empirical model for anharmonic couplings of third and…
We address weak-coupling frictional sliding with phononic dissipation by means of analytic many-body techniques. Our model consists of a particle (the "slider") moving through a two- or three-dimensional crystal and interacting weakly with…
We present a microscopic quantum theory of intersubband polarons, quasiparticles originated from the coupling between intersubband transitions and longitudinal optical phonons. To this aim we develop a second quantized theory taking into…