Zinc germanium diphosphide (ZnGeP2) is an attractive and promising functional material for different devices of the nano- and optoelectronics. In this paper, dispersion of phonon surface polaritons (PSPs) in ZnGeP2 has been studied in the 200-500-cm(-1) spectral range at 4 and 300 K. Dispersion of "real" and "virtual" PSPs were calculated for C-axis being normal and parallel to the surface. Ani...

A method that utilises atomic trajectories and velocities from molecular dynamics simulations has been suitably adapted and employed for the implicit calculation of the phonon dispersion curves of graphene. Classical potentials widely used in the literature were employed. Their performance was assessed for each individual phonon branch and the overall phonon dispersion, using available inelasti...

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We present a first principles investigation of the lattice dynamics and electron-phonon coupling of the superconductor MgB2 and the isostructural AlB2 within the framework of density functional perturbation theory using a mixed-basis pseudopotential method. Complete phonon dispersion curves and Eliashberg functions alpha2F are calculated for both systems. The main differences are related to hig...

We present an experimental and theoretical investigation of the phonon dispersion relations in zinc blende (3C) SiC. The experimental data were obtained for the entire Brillouin zone by inelastic x-ray scattering ~IXS! using a synchrotron radiation source. Eigenvector analysis is performed with the aid of state-of-the-art linear response first principles calculations based on density functional...

Rotation and reflection symmetries impose that out-of-plane (flexural) phonons of freestanding graphene membranes have a quadratic dispersion at long wavelength and can be excited by charge carriers in pairs only. As a result, we find that flexural phonons dominate the phonon contribution to the resistivity rho below a crossover temperature T(x) where we obtain an anomalous temperature dependen...

We study the recently observed orbital excitations, orbitons, and treat electron-electron correlations and lattice dynamics on an equal footing. It is shown that the orbiton energy and dispersion are determined by both correlations and lattice vibrations. The electron-phonon coupling causes satellite structures in the orbiton spectral function and the elementary excitations of the system are mi...

We study theoretically acoustic phonon modes in nanowire superlattices (NWSLs) composed of cubic materials. We classify the acoustic phonon modes in rectangular and square cross-section NWSLs, based on group theory. For NWSLs consisting of GaAs and AlAs, we calculate numerically the dispersion relations of each phonon mode and corresponding displacement fields. We examine the effects of both th...

Raman spectroscopy of nano-scale materials is facing a challenge of developing a physically sound quantitative approach for the phonon confinement effect, which profoundly affects the phonon Raman band shapes of small particles. We have developed a new approach based on 3-dimensional phonon dispersion functions. It analyzes the Raman band shapes quantitatively in terms of the particle size dist...