Related papers: PH-NODE: A DFPT and finite displacement supercell …
We present a high energy-resolution inelastic x-ray scattering investigation of the soft phonon mode in the charge-density-wave system TbTe$_3$. We analyze our data based on lattice dynamical calculations using…
In this paper, a new heterostructure based on the hybridization of graphene-LiF layers with a nonlinear material is introduced and studied. The numerical results are depicted and discussed in detail. A high value of FOM (FOM=24.5) at the…
Phonon-polaritons (PhPs) in low-symmetry van der Waals materials confine mid-infrared electromagnetic radiation well below the diffraction limit for nanoscale optics, sensing, and energy control. However, controlling the PhP dispersion at…
Topological defects (including disclinations and dislocations) which commonly exist in various materials have shown an amazing ability to produce excellent mechanical and physical properties of matters. In this paper, disclinations and…
Higher-order Weyl semimetals are a family of recently predicted topological phases simultaneously showcasing unconventional properties derived from Weyl points, such as chiral anomaly, and multidimensional topological phenomena originating…
We propose a symmetry-based framework for constructing effective harmonic phonon models using a symmetry-adapted multipole basis. By decomposing the force-constant matrix into bond-centered electric multipoles, we identify the minimal…
Phonon polaritons (PhPs) are hybrid light-matter modes. We investigate them in two-dimensional (2D) materials with twisted moir\'{e} structures, revealing that the moir\'{e} potential creates a new class of `moir\'{e} PhPs'. These exhibit a…
Phonon polaritons (PhPs) are hybrid photon-phonon waves which enable strong light-matter interactions and subdiffractional confinement, potentially empowering applications in sensing, nonlinear optics and nanoscale energy manipulation. In…
We present a detailed study of the vibrational properties of Single Wall Carbon Nanotubes (SWNTs). The phonon dispersions of SWNTs are strongly shaped by the effects of electron-phonon coupling. We analyze the separate contributions of…
Understanding the electrical and thermal transport properties of materials is critical to the design of electronics, sensors and energy conversion devices. Computational modeling can accurately predict materials properties but, in order to…
Solid-state elastic-wave phonons are a promising platform for a wide range of quantum information applications. An outstanding challenge and enabling capability in harnessing phonons for quantum information processing is achieving strong…
Based on the dimension of degeneracy, topological electronic systems can roughly be divided into three parts: nodal point, line and surface materials corresponding to zero-, one- and two-dimensional degeneracy, respectively. In parallel to…
Neutral and charged excitons (trions) in atomically-thin materials offer important capabilities for photonics, from ultrafast photodetectors to highly-efficient light-emitting diodes and lasers. Recent studies of van der Waals (vdW)…
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…
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…
The major obstacle in the design of materials with low lattice thermal conductivity is the difficulty in efficiently scattering phonons across the entire frequency spectrum. Using first principles calculations, we show that driving PbTe…
Two component superlattice film of 2N layers is considered and dimensionally quantised spectrum of phonon-s is found. The problem of localization of phonon-s in the superlattice with random thicknesses of the layers is investigated. The…
This paper concerns the study of direct numerical simulation (DNS) data of a wavepacket in laminar turbulent transition in a Blasius boundary layer. The decomposition of this wavepacket into a set of "modes" (a basis that spans an…
Similar to electron waves, the phonon states in semiconductors can undergo changes induced by external boundaries. Modification of acoustic phonon spectrum in structures with periodically modulated elastic constant or mass density -…
Here, we present the phonon calculations for thermodynamic properties, thermal expansion and lattice thermal conductivity of Fe$_{2}$VAl in the temperature range of $300-800$ K and compared with existing experiment. Phonon dispersion is…