Related papers: First principles lattice dynamics of NaCoO$_2$

Micro-Raman spectroscopy has been used to study lattice dynamics associated with the ferroelectric domains of a BiFeO$_3$ single crystal at low temperature. The phonon assignment shows a large frequency splitting between the transverse and…

We studied electronic excitations in NaV2O5 by Raman. Three main topics are discussed. The first is related to a broad continuum of excitations found in the 200-1500 cm-1 range and peaked around 680 cm-1. The resonant Raman profile of this…

Femtosecond optical pulses at mid-infrared frequencies have opened up the nonlinear control of lattice vibrations in solids. So far, all applications have relied on second order phonon nonlinearities, which are dominant at field strengths…

Shubnikov de Haas oscillations for two well defined frequencies, corresponding respectively to areas of 0.8 and 1.36% of the first Brillouin zone (FBZ), were observed in single crystals of Na$_{0.3}$CoO$_2$. The existence of Na…

We study the impact of structural variations (that is slowly varying geometry aberrations and internal strain fields) on the width and shape of the stimulated Brillouin scattering (SBS) resonance in nanoscale waveguides. We find that they…

Polarized Raman scattering measurements have been performed on Na0.5CoO2 single crystal from 8 to 305 K. Both the A1g and E1g phonon modes show a softening below Tc1 ~ 83 K. Additionally, the A1g phonon mode, which is forbidden in the…

Intermediate frequency range (511 - 514 cm-1) Si phonons in Si-SiO2 nanocomposites are shown to have contribution from both core1 and surface/interface1 Si phonons, where, ratio of contribution of the two depends on the size of a Si…

In terms of lattice dynamics theory, we study the vibrational properties of the oxygen-functionalized single wall carbon nanotubes (O-SWCNs). Due to the C-O and O-O interactions, many degenerate phonon modes are split and even some new…

We compute the anharmonic shift of the phonon frequencies in MgB2, using density functional theory. We explicitly take into account the scattering between different phonon modes at different q-points in the Brillouin zone. The shift of the…

The radial-breathing-like phonon modes (RBLMs) of the double-walled carbon nanotubes are studied in a simple analytical model, in which the interaction force constants (FCs) can be obtained analytically from the continuous model. The RBLMs…

We report ab-initio calculations of the phonon dispersion relations of the single-layer and bulk dichalcogenides MoS2 and WS2. We explore in detail the behavior of the Raman active modes, A1g and E2g as a function of the number of layers.…

We report the first principle calculations of the lattice dynamics of KNi$_{2}$Se$_2$ together with the Raman scattering study.\ We have observed three out of four Raman active modes predicted by the factor group analysis. Calculated phonon…

Mn-doped ZnO was synthesized using a co-precipitation technique. X-ray diffraction (XRD) measurements and photoluminescence (PL) spectra show that Mn ions are doped into the lattice positions of ZnO. The modes at 202, 330, and 437 cm-1 in…

Based on the {\it ab-initio} band structure for Na$_x$CoO$_2$ we derive the single-electron energies and the effective tight-binding description for the $t_{2g}$ bands using projection procedure. Due to the presence of the…

Molecular-dynamics simulations of KNbO$_3$ reveal preformed dynamic chain-like structures, present even in the paraelectric phase, that are related to the softening of phonon branches over large regions of the Brillouin zone. The phase…

High refractive index dielectric nanostructures provide original optical properties thanks to the occurrence of size- and shape-dependent optical resonance modes. These modes commonly present a spectral overlap of broad, low-order modes…

Possible variations in the dynamical behaviour of LiYF$_{4}$ due to its structural changes following several pressure-induced phase transitions are examined by making use of the complementary techniques of quasi-harmonic lattice dynamics…

A crack free and high structural quality Sr2Nb2O7 single crystals were grown by the optical float zone method using optimized growth parameters. Laue pattern confirms single crystalline nature of the grown crystal. Temperature dependent…

The impact of dispersion relations, anisotropy, and Brillouin zone structure on intrinsic phonon scattering rates has been assessed within the harmonic approximation-perturbation theory approach for lattice dynamics. Anisotropic nonlinear…

We have performed electrical transport measurements at low temperatures and high magnetic fields in Na$_{0.5}$CoO$_2$ single crystals. Shubnikov de Haas oscillations were observed for two frequencies F_1 150 and F_2 40 T corresponding…