Related papers: Soft phonon modes in rutile TiO$_2$
Structural phase transitions drive several unconventional phenomena including some illustrious ferroic attributes which are relevant for technological advancements. With this note, we have investigated the structural transition of…
We have used an effective model of ferroelectric PbTiO$_{3}$, which displays a representative soft mode-driven phase transition, to investigate how different features of the potential-energy surface affect the transition temperature $T_{\rm…
Anharmonic effects in an atomic monolayer thin crystal with honeycomb lattice structure are investigated by analytical and numerical lattice dynamical methods. Starting from a semi-empirical model for anharmonic couplings of third and…
We report inelastic light scattering measurements of lattice dynamics related to the incommensurate orbital order in $\mathrm{CaMn_7O_{12}}$. Below the ordering temperature $T_\mathrm{o} \approx 250 \,\mathrm{K}$, we observe extra phonon…
We report first principles calculations of the phonon dispersions of PbTe both for its observed structure and under compression. At the experimental lattice parameter we find a near instability of the optic branch at the zone center, in…
We study the phonon modes of interacting particles on the surface of a truncated cone resting on a plane subject to gravity, inspired by recent colloidal experiments. We derive the ground state configuration of the particles under…
Transition metal oxides are considered promising thermoelectric materials for harvesting high-temperature waste heat due to their stability, abundance and low toxicity. Despite their typically strong ionic character, they can exhibit…
Understanding surface collective dynamics in quantum materials is crucial for advancing quantum technologies. For example, surface phonon modes in quantum paraelectrics are thought to play an essential role in facilitating interfacial…
Materials with low thermal conductivity usually have complex crystal structures. Herein we experimentally find that a simple crystal structure material AgTlI2 (I4/mcm) owns an extremely low thermal conductivity of 0.25 W/mK at room…
We report inelastic light scattering experiments on CaFe_2As_2 in the temperature range of 4 to 290 K. In in-plane polarizations two Raman-active phonon modes are observed at 189 and 211 cm-1, displaying A_1g and B_1g symmetries,…
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 present neutron scattering measurements on low-energy phonons from a superconducting ($T_{c} = 2.7$~K) Sn$_{0.8}$In$_{0.2}$Te single crystal sample. The longitudinal acoustic phonon mode and one transverse acoustic branch have been…
While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…
First-principles calculations are used in order to investigate phonon anomalies in non-magnetic and magnetic Heusler alloys. Phonon dispersions for several systems in their cubic L2$\mathrm{_1}$ structure were obtained along the [110]…
Phonon frequencies at {\Gamma},X,M,R-points of Brilloin zone in cubic phase of Ba(Ti,Zr,Hf)O3 were first time calculated by frozen phonon method using density functional theory (DFT) with hybrid exchange correlation functional PBE0. The…
Bi2O2Se belongs to a group of quasi-2D semiconductors that can replace silicon in future high-speed/low-power electronics. However, the correlation between crystal/band structure and other physical properties still eludes understanding:…
We use a symmetry-motivated approach to analyse neutron pair distribution function data to investigate the mechanism of negative thermal expansion (NTE) in ReO$_3$. This analysis shows that the local structure of ReO$_3$ is dominated by an…
Chiral phonons, originally identified in two-dimensional hexagonal lattices and later extended to kagome, square, and other lattices, have been extensively studied as manifestations of broken inversion and time-reversal symmetries in…
We report measurements of the phonon dispersion relations in non-superconducting, oxygen-deficient PrBa2Cu3O6+x (x ~ 0.2) by inelastic neutron scattering. The data are compared with a model of the lattice dynamics based on a common…
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…