Related papers: Phonon scattering and vibrational localization in …
We present a density-matrix embedding theory (DMET) study of the one-dimensional Hubbard-Holstein model, which is paradigmatic for the interplay of electron-electron and electron-phonon interactions. Analyzing the single-particle excitation…
Carrier mobility in bulk semiconductors is typically governed by electron-phonon (e-ph) scattering. In nanostructures, spatial confinement can lead to significant surface scattering, lowering mobility and breaking the spatial homogeneity…
Phononic properties are commonly studied by calculating force constants using the density functional theory (DFT) simulations. Although DFT simulations offer accurate estimations of phonon dispersion relations or thermal properties, but for…
The control of phonon scattering by interfaces is critical to the manipulation of heat conduction in composite materials and semiconducting nanostructures. However, one of the factors limiting our understanding of elastic phonon scattering…
Nanostructured semiconducting materials are promising candidates for thermoelectrics due to their potential to suppress phonon transport while preserving electrical properties. Modeling phonon-boundary scattering in complex geometries is…
We investigate the propagation of electron wavepackets in single-walled carbon nanotubes via a Lindblad-based density-matrix approach that enables us to account for both dissipation and decoherence effects induced by various phonon modes.…
We present an \emph{ab-initio} study that identifies the main electron-phonon scattering channels in $n$-type PbTe. We develop an electronic transport model based on the Boltzmann transport equation within the transport relaxation time…
Confined modes at the edge arbitrarily inclined with respect to optical axes of nonmagnetic anisotropic 2D materials are considered. By developing the exact Wiener-Hopf and approximated Fetter methods we studied edge modes dispersions,…
In this work, a parameterized eigenvalue problem is analyzed for a phononic array in a 2D stress wave scattering setup, and a corresponding sensing application of this system is proposed to achieve source angle localization. The phononic…
We present a mode-resolved analysis of emission thresholds in metal nanoparticles embedded within an infinite gain medium, using Mie scattering theory as a rigorous framework. Focusing on the first three resonant modes, we identify the…
The possibility of using ultracold atoms to observe strong localization of matter waves is now the subject of a great interest, as undesirable decoherence and interactions can be made negligible in these systems. It was proposed that a…
We present a first-principles approach to compute the transport properties of 2D materials in an accurate and automated framework. We use density-functional perturbation theory in the appropriate bidimensional setup with open-boundary…
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 -…
Phonons crucially impact a variety of properties of organic semiconductor materials. For instance, charge- and heat transport depend on low-frequency phonons, while for other properties, such as the free energy, especially high-frequency…
We study the strong localization of atomic matter waves in a disordered potential created by atoms pinned at the nodes of a lattice, for both three-dimensional (3D) and two-dimensional (2D) systems. The localization length of the matter…
The problem of both electron and phonon scattering by wedge disclination dipoles (WDD) is studied in the framework of the deformation potential approach. The exact analytical results for the mean free path are obtained within the Born…
We calculate the vibrational density-of-states in an insulating nanoparticle that is in weak mechanical contact with a semi-infinite substrate. The work is motivated by a recent experiment by Yang et al., where the low-energy phonon…
We study the effect of confinement on the phonon properties of ultra-narrow silicon nanowires of side sizes of 1-10nm . We use the modified valence force field method to compute the phononic dispersion, and extract the density of states,…
Comprehensive understanding of thermal transport in nanostructured materials needs large scale simulations bridging length scales dictated by different physics related to the wave versus particle nature of phonons. Yet, available…
Conventional localization techniques typically assume far-field (FF) propagation characterized by planar wavefronts and simplified spatial relationships. The use of higher carrier frequencies has given rise to the paradigm of extra large…