Related papers: First principles lattice dynamics of NaCoO$_2$
The contribution of interface phonons to the first order Raman scattering in nanocrystals with non spherical geometry is analyzed. Interface optical phonons in the spheroidal geometry are discussed and the corresponding Frohlich-like…
We demonstrate experimentally and corroborate numerically that an electrical lattice with nearest-neighbor and second-neighbor coupling can simultaneously support long-lived coherent structures in the form of both standard intrinsic…
The electronic structure of two V-based ladder compounds, the quarter-filled NaV$_2$O$_5$ in the symmetric phase and the iso-structural half-filled CaV$_2$O$_5$ is investigated by ab initio calculations. Based on the bandstructure we…
We investigate the ultrafast structural dynamics of LaAlO3 thin films driven by short mid-infrared laser pulses at 20 THz. Time-resolved X-ray diffraction reveals an immediate lattice expansion and an acoustic breathing mode of the film.…
Phonon energies at finite temperatures shift away from their harmonic values due to anharmonicity. In this paper, we have realized the rigorous calculation of phonon energy shifts of silicon by three and four-phonon scattering from first…
We have investigated the phonon and the magnetic excitations in LaCoO3 by inelastic neutron scattering measurements. The acoustic phonon dispersions show some characteristic features of the folded Brillouin zone (BZ) for the rhombohedrally…
We report experiments to determine the effect of radiation damage on the phonon spectra of the most common nuclear fuel, UO$_2$. We have irradiated thin ($\sim$ 300 nm) epitaxial films of UO$_2$ with 2.1 MeV He$^{2+}$ ions to 0.15 dpa and a…
We develop a systematic method for deriving a quantum optical multi-mode Hamiltonian for the interaction of photons and phonons in nanophotonic dielectric materials by applying perturbation theory to the electromagnetic Hamiltonian. The…
We report a study of the lattice dynamics in superconducting NaFeAs (Tc = 8 K) and doped NaFe0.97Co0.03As (Tc = 20 K) using Raman light scattering. Five of the six phonon modes expected from group theory are observed. In contrast with…
We study the phonon modes in single-walled MoS$_{2}$ nanotubes via the lattice dynamics calculation and molecular dynamics simulation. The phonon spectra for tubes of arbitrary chiralities are calculated from the dynamical matrix…
The vibrational spectra of CdSe/CdS superlattices (SLs) with different layer thicknesses are calculated from first principles within the density functional theory. It is shown that, along with folded acoustic and confined optical modes, a…
Optical vibration modes of InP nanowires in the wurtzite phase were investigated by Raman scattering spectroscopy. The wires were grown along the [0001] axis by the vapor-liquid-solid method. The A1(TO), E2h and E1(TO) phonon modes of the…
The lattice dynamics of the $\rm YMnO_3$ magneto-electric compound has been investigated using density functional calculations, both in the ferroelectric and the paraelectric phases. The coherence between the computed and experimental data…
The four A1-TO Gamma phonon frequencies in lithium tantalate are calculated in the frozen-phonon approach from first principles using the full-potential linearized augmented plane wave method. A good agreement with the experimental data…
We report a comprehensive investigation of the lattice dynamics of URu$_2$Si$_2$ as a function of temperature using Raman scattering, optical conductivity and inelastic neutron scattering measurements as well as theoretical {\it ab initio}…
Raman spectroscopic investigations are carried out on one-dimensional nanostructures of InN,such as nanowires and nanobelts synthesized by chemical vapor deposition. In addition to the optical phonons allowed by symmetry; A1, E1 and…
Phonons are responsible for limiting both the electron mobility and the spin relaxation time in solids and provide a mechanism for thermal transport. In view of a possible transistor function as well as spintronics applications in graphene…
We present a high-sensitivity measurement technique for mechanical nanoresonators. Due to intrinsic nonlinear effects, different flexural modes of a nanobeam can be coupled while driving each of them on resonance. This mode-coupling scheme…
We develop an ab initio method to simulate the infrared vibrational response of metallic systems in the framework of time-dependent density functional perturbation theory. By introducing a generalized frequency-dependent Born effective…
A complete mapping in the Brillouin zone of the structural instability associated with the ferroelectric phase transitions of KNbO$_3$ has been obtained by first-principles calculations using an LAPW linear response approach. The wavevector…