Related papers: Lattice-dynamical calculation of phonon scattering…
The new model of phonon transmission across the interface between two crystals is proposed featured by taking into account the mismatch of crystal lattices. It has been found that the mismatch of lattices results in phonon scattering at the…
Generic properties of elastic phonon transport at a disordered interface are studied. The results show that phonon transmittance is a strong function of frequency and the disorder correlation length. At frequencies lower than the van Hove…
We demonstrate how supercell implementations of conventional lattice dynamical calculations can be used to determine the extent and nature of disorder-induced broadening in the phonon dispersion spectrum of disordered crystalline materials.…
In an isotopically disordered harmonic chain, phonon transmission attenuates exponentially with distance because of multiple scattering by the isotopic defects. We propose a simple method, which is based on the static structure factor, for…
We calculate the scattering rates of phonons on two-level systems in disordered trigonal and hexagonal crystals. We apply a model in which the two-level system, characterized by a direction in space, is coupled to the strain field of the…
The standard theoretical understanding of the lattice thermal conductivity, $\kappa_{\ell}$, of semiconductor alloys assumes that mass disorder is the most important source of phonon scattering. In contrast, we show that the hitherto…
The lattice dynamics in substitutional disordered alloys with constituents having large size differences is driven by strong disorder in masses, inter-atomic force constants and local environments. In this letter, a new first-principles…
Taking into account the constraints imposed by the lattice symmetry, the phonon dispersion is calculated for graphene with interactions between the first and second nearest neighbors in the framework of the Born-von Karman model. Analytical…
Taking into account the constraints imposed by the lattice symmetry, we calculate the phonon dispersion for graphene with interactions between the first, second, and third nearest neighbors in the framework of the Born--von Karman model.…
Phonon transmission across an interface between dissimilar crystalline solids is calculated using molecular dynamics simulations with interatomic force constants obtained from first principles. The results reveal that although inelastic…
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 scattering of graphene quasiparticles by topological defects, represented by holes, pentagons and heptagons. For the case of holes, we obtain the phase shift and found that at low concentration they appear to be irrelevant for…
A simple and accurate method of calculating phonon spectra in mixed semiconductors alloys, on the basis of preliminarily (from first principles) relaxed atomic structure, is proposed and tested for (Zn,Be)Se and (Ga,In)As solid solutions.…
We study both analytically and numerically phonon transmission fluctuations and localization in partially ordered superlattices with correlations among neighboring layers. In order to generate a sequence of layers with a varying degree of…
We study the scattering of graphene quasiparticles by topological defects, represented by holes, pentagons and heptagons. For the case of holes, we obtain the phase shift and found that at low concentration they appear to be irrelevant for…
Medium and high entropy ceramics, with their distinctive disordered structures, exhibit ultra-low thermal conductivity and high temperature stability. These properties make them strong contenders for next generation thermal barrier coating…
The crystal structure and phonon dynamics of pentacene is computed with the Quasi Harmonic Lattice Dynamics (QHLD) method, based on atom-atom potential. We show that two crystalline phases of pentacene exist, rather similar in thermodynamic…
We develop a formalism for the calculation of the frequency band structure of a phononic crystal consisting of non-overlapping elastic spheres, characterized by Lam\'e coefficients which may be complex and frequency dependent, arranged…
The discovery of an enhanced superconducting transition temperature $T_c$ in monolayers of FeSe grown on several oxide substrates has opened a new route to high-$T_c$ superconductivity through interface engineering. One proposal for the…
The translational symmetry of solids gives rise to the existence of low-frequency phonons. In ordered systems, some phonons characterized by different wavevectors are degenerate, i.e. they share the same frequency $\omega$; in finite-size…