Related papers: Anharmonic phonon frequency shift in MgB2
We measure phonon dispersion and linewidth in a single crystal of MgB_2 along the Gamma-A, Gamma-M and A-L directions using inelastic X-Ray scattering. We use Density Functional Theory to compute the effect of both electron-phonon coupling…
The effect of pressure on optical phonon frequencies of MgB$_2$ has been calculated using the frozen-phonon approach based on a pseudopotential method. Gr\"uneisen parameters of the harmonic mode frequencies are reported for the…
Phonon energies at finite temperatures shift away from their harmonic values due to anharmonicity. In this paper, we have realized the rigorous calculation of phonon energy shifts of silicon by three and four-phonon scattering from first…
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…
Superconducting MgB$\_2$ shows an E$\_{2g}$ zone center phonon, as measured by Raman spectroscopy, that is very broad in energy and temperature dependent. The Raman shift and lifetime show large differences with the values elsewhere in the…
We study phonons in MgB2 using inelastic x-ray scattering (1.6 and 6 meV resolution). Our measurements show excellent agreement with theory for the dispersion and line-width: we clearly observe the softening and broadening of the crucial…
We present a Raman scattering study of the E2g phonon anharmonicity and of superconductivity induced self-energy effects in MgB2 single crystals. We show that anharmonic two phonon decay is mainly responsible for the unusually large…
Two-phonon contributions to meV-resolved inelastic x-ray scattering spectra of MgB2 at 300K are identified, in good agreement, in both intensity and energy, with a harmonic calculation using the force constant matrix from ab-inito LDA…
We study anharmonic effects in MgB2 by comparing Inelastic X-ray and Ramanscattering together with ab-initio calculations. Using high statistics and high q resolution measurements we show that the E2g mode linewidth is independent of…
We report the boron isotope effect on the E2g phonon mode by micro-Raman spectroscopy on the ternary Mg1-xAlxB2 system, synthesized with pure isotopes 10B and 11B. The isotope coefficient on the phonon frequency is near 0.5 in the full…
We report ab-inito density functional theory calculation of phonons in cubic phase of ZrW2O8 in the entire Brillouin zone and identify specific anharmonic phonons that are responsible for large negative thermal expansion (NTE) in terms of…
Temperature dependent Raman scattering studies in polycrystalline MgB2(10<T<300 K)reveal that the E2g phonon does not experience any self energy renormalization effect across the superconducting critical temperature Tc ~ 40 K. In contrast,…
We determine the anisotropic dielectric functions of rhombohedral $\alpha$-Ga$_2$O$_3$ by far-infrared and infrared generalized spectroscopic ellipsometry and derive all transverse optical and longitudinal optical phonon mode frequencies…
We develop a first-principles scheme to calculate adiabatic and non-adiabatic phonon frequencies in the full Brillouin zone. The method relies on the variational properties of a force-constants functional with respect to the first-order…
Raman spectra of the MgB2 ceramic samples were measured as a function of pressure up to 32 GPa at room temperature. The spectrum at normal conditions contains a very broad peak at ~590 cm-1 related to the E2g phonon mode. The frequency of…
The temperature dependence of the phonon spectrum in the superconducting transition metal dichalcogenide 2H-NbS$_2$ is measured by diffuse and inelastic x-ray scattering. A deep, wide and strongly temperature dependent softening, of the two…
We report first-principles calculations of the electronic band structure and lattice dynamics for the new superconductor MgB$_{2}$. The excellent agreement between theory and our inelastic neutron scattering measurements of the phonon…
Recent first principles calculations of the phonon dispersion curves in MgB_2 have suggested the presence of anomalies in some of the curves, particularly in the longitudinal acoustical (LA) branch in the Gamma to A direction. Similar…
The dispersion in the entire Brillouin zone and the temperature dependence (right up to the melting temperature) of the anharmonic frequency shift and phonon damping in a number of fcc metals is investigated on the basis of microscopic…
We have implemented a generic method, based on the 2n+1 theorem within density functional perturbation theory, to calculate the anharmonic scattering coefficients among three phonons with arbitrary wavevectors. The method is used to study…