Related papers: Lattice Dynamics in PMN
A theoretical approach for a non-perturbative dynamical description of two interacting atoms in an optical lattice potential is introduced. The approach builds upon the stationary eigenstates found by a procedure described in Grishkevich et…
We investigate the interplay between lattice symmetry, phonons, and magnetism in the quasi-one-dimensional ladder compound BaFe$_2$S$_3$ by combining polarized synchrotron infrared spectroscopy, hybrid-functional density functional theory…
Pb(Zn$_{1/3}$Nb$_{2/3}$)O$_{3}$ is one of the simplest representatives of the lead ferroelectric relaxors. Its solid solution with PbTiO$_{3}$, at concentrations near the morphotropic phase boundary, is especially important. In this paper,…
We report an inelastic x-ray scattering investigation of phonons in FeSe superconductor. Comparing the experimental phonon dispersion with density functional theory (DFT) calculations in the non-magnetic state, we found a significant…
The motion of a dark soliton is investigated in a one-dimensional dilute Bose-Einstein condensate confined in a harmonic trap and an optical lattice. The harmonic trap induces a dynamical instability of the soliton, culminating in sound…
Metallenes are atomically thin two-dimensional (2D) materials lacking a layered structure in the bulk form. They can be stabilized by nanoscale constrictions like pores in 2D covalent templates, but the isotropic metallic bonding makes…
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…
In the present communication we consider the one-dimensional (1D) isotopically disordered lattice with the harmonic potential. Our analytical method is adequate for any 1D lattice where potential energy can be presented as the quadratic…
Plasmonic lattice nanostructures are of technological interest because of their capacity to manipulate light below the diffraction limit. Here, we present a detailed study of dark and bright modes in the visible and near-infrared energy…
We present a constrained density functional perturbation theory scheme for the calculation of structural and harmonic vibrational properties of insulators in the presence of an excited and thermalized electron-hole plasma. The method is…
The thermodynamics properties of the wurtzite and zinc-blende \InGaN alloys are calculated using first-principles density-functional calculations. Special quasi-random structures are used to describe the disordered alloys, for $x= 1/4,…
We have determined the lattice dynamics of MgSiO$_3$ perovskite (bridgmanite) by a combination of single-crystal inelastic x-ray scattering and ab initio calculations. We observe a remarkable agreement between experiment and theory, and…
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…
Motivated by the recent rapid development of the field of quantum gases in optical lattices, we present a comprehensive study of the spectrum of ultracold atoms in a one-dimensional optical lattice subjected to a periodic lattice…
In complex electronic materials, coupling between electrons and the atomic lattice gives rise to remarkable phenomena, including colossal magnetoresistance and metal-insulator transitions. Charge-ordered phases are a prototypical…
Motivated by the experimental ability to produce monodisperse particles in microfluidic devices, we study theoretically the hydrodynamic stability of driven and active crystals. We first recall the theoretical tools allowing to quantify the…
A unified model of molecular and atomistic spin dynamics is presented enabling simulations both in microcanonical and canonical ensembles without the necessity of additional phenomenological spin damping. Transfer of energy and angular…
Understanding the realization of thermal equilibrium through the thermalization process in a many-body system is a fundamental and complex scientific question, bridging thermodynamics and classical dynamics and connecting to a host of…
We put forward new properties of lattice solitons in materials and geometries where both, the linear refractive index and the nonlinearity are spatially modulated. We show that the interplay between linear and out-of-phase nonlinear…
Light-induced mechanical deformations in single-domain (PbTiO$_{3}$)$_{n}$/(SrTiO$_{3}$)$_{m}$ superlattices were simulated using first-principle calculations. By varying the chemical fraction PbTiO$_{3}$, we discover that these…