Related papers: Phonons of Metallic Vicinal Surfaces
We study the in-plane acoustic phonons in twisted bilayer graphenes using the effective continuum approach. We calculate the phonon modes by solving the continuum equation of motion for infinitesimal vibration around the static relaxed…
Electron-phonon coupling in atoms and molecules adsorbed at metal surfaces gives rise to finite vibrational linewidths in infrared or electron energy loss spectra. When it is the dominant contribution to the vibrational lifetime, it…
We review calculations and measurements of the phonon-dispersion relation of graphite. First-principles calculations using density-functional theory are generally in good agreement with the experimental data since the long-range character…
The tunability of the interlayer coupling by twisting one layer with respect to another layer of two-dimensional materials provides a unique way to manipulate the phonons and related properties. We refer to this engineering of phononic…
The lattice dynamics for NiCo, NiFe, NiFeCo, NiFeCoCr, and NiFeCoCrMn medium to high entropy alloy have been investigated using the DFT calculation. The phonon dispersions along three different symmetry directions are calculated by the…
We investigate theoretically and numerically the coupling between elastic and localized surface plasmon modes in a system of gold nanocylinders separated from a thin gold film by a dielectric spacer of few nanometers thickness. That system…
Ammonium sulfate is a giant inverse barocaloric material that is cheaply and commercially available. Exploiting its potential for cooling applications requires an understanding of the mechanism driving the entropy change. Here we report an…
Topological phonon modes are robust vibrations localized at the edges of special structures. Their existence is determined by the bulk properties of the structures and, as such, the topological phonon modes are stable to changes occurring…
We have performed a comprehensive computational study of the vibrational properties and electron-phonon couplings in the three known polymorphs of pentacene. Vibrational patterns and electron-phonon interactions were calculated at several…
The metallic surface states of a topological insulator support helical Dirac fermions protected by topology with their spin locked perpendicular to their momentum. They can acquire mass through magnetic doping or through hybridization of…
We devise an efficient scheme to determine vibrational properties from Path Integral Molecular Dynamics (PIMD) simulations. The method is based on zero-time Kubo-transformed correlation functions and captures the anharmonicity of the…
In the present work, the electronic and vibrational properties of both pristine V$_2$C and fully-terminated V$_2$CT$_2$ (where T = F, O, OH) 2D monolayers are investigated using density functional theory. Firstly, the atomic structures of…
We investigate anharmonically coupled high- and low-frequency excitations in a planar lattice of adsorbed molecules interacting with phonons of a crystal. Dephasing of high-frequency local vibrations by low-frequency resonance modes is…
We report the results of the investigation of bulk and surface acoustic phonons in the undoped and boron-doped single-crystal diamond films using the Brillouin-Mandelstam light scattering spectroscopy. The evolution of the optical phonons…
Phonons are quantized vibrations of a crystal lattice that play a crucial role in understanding many properties of solids. Density functional theory (DFT) provides a state-of-the-art computational approach to lattice vibrations from…
The study of nanostructures' vibrational properties is at the core of nanoscience research, they are known to represent a fingerprint of the system as well as to hint the underlying nature of chemical bonds. In this work we focus on…
We discuss the possible cooling of different phonon modes via three wave mixing interactions of vibrational and optical modes. Since phonon modes exhibit a variety of dispersion relations or frequency spectra with diverse spatial…
Graphene and related two-dimensional (2D) materials associate remarkable mechanical, electronic, optical and phononic properties. As such, 2D materials are promising for hybrid systems that couple their elementary excitations (excitons,…
We determine from first-principles the finite-temperature properties--linewidths, line shifts, and lifetimes--of the key vibrational modes that dominate inelastic losses in graphitic materials. In graphite, the phonon linewidth of the…
A strong electron-phonon interaction in a metal increases the electron density of states in the vicinity of the Fermi energy dramatically. This phenomenon is called electron-phonon mass enhancement. In this paper the question is…