相关论文: Using high multipolar orders to reconstruct the so…

Chaotic lattice models at high temperature are generically expected to exhibit diffusive transport of all local conserved charges. Such diffusive transport is usually associated with overdamped relaxation of the associated currents. Here we…

A fundamental understanding of the phonon transport mechanism is important for optimizing the efficiency of thermoelectric devices. In this study, we investigate the thermal transport properties of the oxidized form of phosphorene called…

We review our recent development of a first-principles lattice dynamics method that can treat anharmonic effects nonperturbatively. The method is based on the self-consistent phonon theory and temperature-dependent phonon frequencies can be…

This paper considers nonlinear dynamics of polarization oscillations when some materials when they are subjected to the action of an electromagnetic wave modeled by multifrequency forced Duffing equation. Multiresonance and chaotic behavior…

Lattice vibrations in materials induce perturbations on the electron dynamics in the form of long-range (dipole and quadrupole) and short-range (octopole and higher) potentials. The dipole Fr\"ohlich term can be included in current…

Phonon properties of realistic materials are routinely calculated within the Density Functional Perturbation Theory\,(DFPT). This is a semi--classical approach where the atoms are assumed to oscillate along classical trajectories immersed…

Low-dimensional electronic and glassy phononic transport are two important ingredients of highly-efficient thermoelectric material, from which two branches of the thermoelectric research emerge. One focuses on controlling electronic…

We investigate the binding surface along the Bain path and phonon dispersion relations for the cubic phase of the ferromagnetic binary alloys Fe3X (X = Ni, Pd, Pt) for L12 and DO22 ordered phases from first principles by means of density…

We employ numerical simulations to understand the evolution of elastic standing waves in disordered frictional disk systems, where the dispersion relations of rotational sound modes are analyzed in detail. As in the case of frictional…

We report a simple safe and attractive pedagogic demonstration with magnetic compasses that facilitates an intuitive understanding of the concept that ferromagnetism and ferroelectricity do not result from dipole-dipole interactions alone.…

Using a microscopic dipole lattice model including electronic polarization (EP) of ions and local field effects (LFEs) self-consistently, two sets of three equations are deduced for long wavelength in-plane and out-of-plane optical lattice…

Intense, single-cycle terahertz (THz) pulses offer a promising approach for understanding and controlling the properties of a material on an ultrafast time scale. In particular, resonantly exciting phonons leads to a better understanding of…

Phonon lifetime calculations from first principles usually rely on time consuming molecular dynamics calculations, or density functional perturbation theory (DFPT) where the zero temperature crystal structure is assumed to be dynamically…

The strong coupling between electromagnetic field and lattice oscillation in piezoelectric materials gives rise to phonon polariton excitations. Such quasiparticles open up new directions in modulating the ubiquitous Casimir force. Here by…

Time-resolved diffuse scattering experiments have gained increasing attention due to their potential to reveal non-equilibrium dynamics of crystal lattice vibrations with full momentum resolution. Although progress has been made in…

In recent years, palladium has proven to be a crucial component for devices ranging from nanotube field effect transistors to advanced hydrogen storage devices. In this work, I examine the phonon dispersion of fcc Pd using first principle…

Particle tracking and displacement covariance matrix techniques are employed to investigate the phonon dispersion relations of two-dimensional colloidal glasses composed of soft, thermoresponsive microgel particles whose…

We propose an experimental technique based on all-electric measurements to retrieve the frequency response of a one-dimensional piezoelectric phononic crystal plate, structured periodically with millimeter-scaled metallic strips on its two…

One of the greatest challenges when designing new technologies that make use of non-trivial quantum materials is the difficulty associated with predicting material-specific properties, such as critical temperature, gap parameter, etc. There…

Density functional theory is routinely applied to predict crystal structures. The most common exchange-correlation functionals used to this end are the Perdew-Burke-Ernzerhof (PBE) approximation and its variant PBEsol. We investigate the…