Related papers: Phonons and structures of tetracene polymorphs at …
The crystal structure and phonon dynamics of pentacene is computed with the Quasi Harmonic Lattice Dynamics (QHLD) method, based on atom-atom potential. We show that two crystalline phases of pentacene exist, rather similar in thermodynamic…
We have carried out temperature-dependent x-ray diffraction and Raman scattering experiments on powder $Cs_3Bi_2Br_9$. Trigonal to monoclinic structural transition at around 95 K is discussed and shown to be driven by the softening of the…
We have carried out temperature and pressure-dependent Raman and x-ray measurements on single crystals of Tb$_2$Ti$_2$O$_7$. We attribute the observed anomalous temperature dependence of phonons to phonon-phonon anharmonic interactions. The…
The phonon dynamics of LiV2O5 single crystals is studied using infrared and Raman spectroscopy techniques. The infrared-active phonon frequencies and dielectric constants are obtained by oscillator fitting procedure of the reflectivity data…
The effect of pressure and temperature on the Raman-active phonon mode of osmium metal has been investigated for pressures up to 20 GPa and temperatures in the range 10--300 K. Under hydrostatic conditions (He pressure medium) the phonon…
Atomic undercoordination, charge injection, mechanical and thermal activation mediate the properties of a material intrinsically by bond relaxation from one equilibrium to another while the phonon spectrometrics probes the ever-unexpected…
High quality single crystals of Bi2Se3 were grown using a modified Bridgman technique, the detailed study were carried out using Raman spectroscopy and characterized by Laue diffraction and high resolution transmission electron microscopy.…
We present a comprehensive temperature and polarization dependent inelastic light scattering (Raman) study on single crystals of two-dimensional CuCrP2S6, a layered van der Waals material exhibiting coupled magnetic and electric degrees of…
Polarized Raman scattering measurements on IrTe$_2$ single crystals carried out over 15~K - 640~K temperature range, and across the structural phase transition, reveal new insights regarding the crystal symmetry.\ In the high temperature…
A theoretical study on low-temperature structural phase transitions is presented, in which both phonon-like and relaxation order-parameter dynamics are contemplated. While the first limiting case has been considered previously, the second…
The low-temperature thermal conductivity in polycrystalline graphene is theoretically studied. The contributions from three branches of acoustic phonons are calculated by taking into account scattering on sample borders, point defects and…
Conventional methods to calculate the thermodynamics of crystals evaluate the harmonic phonon spectra and therefore do not work in frequent and important situations where the crystal structure is unstable in the harmonic approximation, such…
The pressure dependence of a large number of phonon modes in CaFe2As2 with energies covering the full range of the phonon spectrum has been studied using inelastic x-ray and neutron scattering. The observed phonon frequency changes are in…
In the quest for stable 2D arsenic phases, four different structures have been recently claimed to be stable. We show that, due to phonon contributions, the relative stability of those structures differs from previous reports and depends…
In this work, we have studied the phonon properties of multi-layered graphene with the use of Molecular Dynamics (MD) simulations and the k-space Autocorrelation Sequence (k-VACS) method. We calculate the phonon dispersion curves, densities…
To investigate the pressure-induced structural transitions of chromium dioxide (CrO$_{2}$), phonon dispersions and total energy band structures are calculated as a function of pressure. The first structural transition has been confirmed at…
An experimental study of optical phonon modes, both normal and interface (IF) phonons, in bilayer strain-coupled InAs/GaAs_(1-x)Sb_x quantum dot heterostructures has been presented by means of low-temperature polarized Raman scattering. The…
Two-dimensional group-10 noble transition metal dichalcogenides have garnered growing attention due to their rich physical properties and promising applications across nanoelectronics, optoelectronics, and spintronics. Among them, PtX2 (X =…
Among the many ice polymorphs, ice I, that is present in nature at ambient pressure, occurs with two different structures, i.e. the stable hexagonal (Ih) or the metastable cubic (Ic) one. An accurate analysis of cubic ice Ic was missing…
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,…