Related papers: First principles lattice dynamics of NaCoO$_2$
First-principles calculations have been conducted to study the structural, vibrational and dielectric properties of {\beta}-Si3N4. Calculations of the zone-center optical-mode frequencies (including LO-TO splittings), Born effective charge…
We observe anharmonic decay of the photoexcited coherent A1g phonon in bismuth to points in the Brillouin zone where conservation of momentum and energy are satisfied for three-phonon scattering. The decay of a coherent phonon can be…
We present a first-principles study on lattice vibrational modes of Si/Ge core-shell nanowires (NWs). In addition to quantum confinement, the internal strain induced by the lattice mismatch between core and shell contributes to significant…
We report an inelastic light scattering study of single-crystalline NaCu$_2$O$_2$, a spin-chain compound known to exhibit a phase with helical magnetic order at low temperatures. Phonon excitations were studied as a function of temperature…
We present an analysis of deep-UV Raman measurements of graphite, graphene and carbon nanotubes. For excitation energies above the strong optical absorption peak at the $M$ point in the Brillouin zone ($\approx 4.7\,\text{eV}$), we…
The localized acoustic modes of single isolated polymethyl methacrylate (PMMA) and polystyrene nanospheres have been studied by micro-Brillouin light scattering. The measured mode frequencies are analyzed on the basis of the Lamb theory…
We use polarization-resolved Raman scattering to study lattice dynamics in NaFe$_{0.53}$Cu$_{0.47}$As single crystals. We identify 4 $A_{1g}$ phonon modes at 125, 172, 183 and 197 cm$^{-1}$, and 4 $B_{3g}$ phonon modes at 101, 138, 173, 226…
We report on the phonon dynamics of LiYF4 obtained by direct method using first principle calculations. The agreement between experimental and calculated modes is satisfactory. An inversion between two Raman active modes is noticed compared…
In this study, we present a comprehensive analysis of the Raman active phonon modes in orthorhombic LaInO$_3$ based on a combination of polarization-angle resolved Raman spectroscopy and density functional theory calculations. By using…
We study the second-order Raman process of mono- and few-layer MoTe$_2$, by combining {\em ab initio} density functional perturbation calculations with experimental Raman spectroscopy using 532, 633 and 785 nm excitation lasers. The…
We have performed Raman scattering measurements on BiFeO3 nanoparticles and studied both magnetic and lattice modes. We reveal strong anomalies between 140 K and 200 K in the frequency of magnon and E(LO1), E(TO1) and A1(LO1) phonon modes.…
We have performed first-principles calculations to study the lattice vibrational modes and their Raman activities in silicon nanowires (SiNWs). Two types of characteristic vibrational modes are examined: high-frequency optical modes and…
The century-old study of photon-phonon coupling has seen a remarkable revival in the past decade. Driven by early observations of dynamical back-action, the field progressed to ground-state cooling and the counting of individual phonons. A…
The emergence of phonon frequency combs exemplifies a rare and intriguing phenomenon in quantum solids. Materials with distinctive phonon band structures are especially promising for hosting such states, as their vibrational dispersion…
We present a first-principles approach for calculating phonon-polariton dispersion relations. In this approach, phonon-photon interaction is described by quantization of a Hamiltonian that describes harmonic lattice vibrations coupled with…
I study the experimentally observed metal-to-metal structural phase transition in NaTiO$_2$ using density functional calculations. I do not find the previously proposed low-temperature structure energetically favorable with respect to the…
Phonon lifetime calculations from first principles usually rely on time consuming molecular dynamics calculations, or density functional perturbation theory (DFPT) where the zero temperature crystal structure is assumed to be dynamically…
As the length-scales of materials decrease, heterogeneities associated with interfaces approach the importance of the surrounding materials. Emergent electronic and magnetic interface properties in superlattices have been studied…
We present a model of the lattice dynamics of the rare earth titanate pyrochlores R2Ti2O7 (R=Tb, Dy, Ho), which are important materials in the study of frustrated magnetism. The phonon modes are obtained by density functional calculations,…
Using the linear response theory, the vibrational and dielectric properties are calculated for c-BN, w-BN and h-BN. Calculations of the zone-center optical-mode frequencies (including LO-TO splittings) are reported. All optic modes are…