Related papers: Anharmonic phonon frequency shift in MgB2
We derive expressions for the intensity of the Brillouin polarized spectrum of a molecular liquid formed of axially symmetric molecules. These expressions take into account both the molecular dielectric anisotropy and the modulation of the…
An approach to compute the anharmonic peaks of the phonon dispersion curves through the ab initio calculated Hellmann-Feynman forces from a series of supercells with realistic atomic displacements of all atoms, which correspond to a given…
Room temperature phonon dynamics in crystals of the high-Tc superconductor Bi2Sr2CaCu2O(8+delta) were probed using Brillouin light scattering spectroscopy. Eight distinct acoustic modes were observed and identified, including two…
The phonon density of states (DOS) of graphene with different types of point defects (carbon isotopes, substitution atoms, vacancies) is considered. Using a solvable model which is based on the harmonic approximation and the assumption that…
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,…
All phonons in a single crystal of NaBr were measured by inelastic neutron scattering at temperatures of 10, 300 and 700 K. Even at 300 K the phonons, especially the longitudinal-optical (LO) phonons, showed large shifts in frequencies, and…
We show that a quantum phase transition can occur in a phonon system in the presence of dislocations. Due to the competing nature between the topological protection of the dislocation and anharmonicity, phonons can reach a quantum critical…
In this work we present the results of an inelastic x-ray scattering experiment detailing the behavior of the transverse acoustic [110] phonon in BaFe2As2 as a function of temperature. When cooling through the structural transition…
We have used ab-initio density functional theory technique to understand the phase transitions and structural changes in various high temperature/pressure phases of LiAlO2. The electronic band structure as well as phonon spectra are…
Spin-phonon coupling effects, as reflected in phonon frequency shifts between ferromagnetic (FM) and G-type antiferromagnetic (AFM) configurations in cubic CaMnO$_3$, SrMnO$_3$, BaMnO$_3$, LaCrO$_3$, LaFeO$_3$ and La$_2$(CrFe)O$_6$, are…
The effect of pressure on the zone-center optical phonon modes and the elastic properties of hafnium has been studied by both experimental (Raman scattering) and theoretical (DFT) approaches. It was found an anomaly dependence of the phonon…
We develop an ab initio framework that captures the impact of electron-electron and electron-hole interactions on phonon properties. This enables the inclusion of excitonic effects in the optical phonon dispersions and lifetimes of…
The detailed optical properties of BaFe2As2 have been determined over a wide frequency range above and below the structural and magnetic transition at T_N = 138 K. A prominent in-plane infrared-active mode is observed at 253 cm^{-1} (31.4…
The variational stochastic self-consistent harmonic approximation is combined with the calculation of third-order anharmonic coefficients within density-functional perturbation theory and the "$2n+1$" theorem to calculate anharmonic…
Raman scattering in the three-dimensional Dirac semimetal Cd3As2 shows an intricate interplay of electronic and phonon degrees of freedom. We observe resonant phonon scattering due to interband transitions, an anomalous anharmonicity of…
Temperature dependence of longitudinal optical phonons with oxygen character was measured in La1-xSrxMnO3 (x=0.2, 0.3) by inelastic neutron scattering in the (1 0 0) cubic direction. The zone center mode intensity is consistent with the…
Using infrared (IR) and Raman spectroscopies combined with high-resolution x-ray diffraction, we address several controversial aspects of altermagnetic $\alpha$-MnTe. We show that mechanical stress applied to crystals of this material…
The phonon density-of-states of transition metal diborides TMB2 with TM = Ti, V, Ta, Nb and Y has been measured using the technique of inelastic neutron scattering. The experimental data are compared with ab initio density functional…
We study the thermal distribution of phonons in a graphene sheet. Due to the two electronic bands there are two out-of-plane phonon modes with respect to the two sublattices. One of these modes undergoes an Ising transition by spontaneously…
We use maximum entropy techniques to extract an electron-phonon density from optical data in the normal state at T = 45 K in MgB2. Limiting the analysis to a range of phonon energies below 110 meV which is sufficient to capture all phonon…