Related papers: Nonharmonic Phonons in $\alpha$-Iron at High Tempe…
Experiments showed that solute Mn in bcc iron is in antiferromagnetic (AFM) coupling with iron neighbours below 2 at.% Mn, but is in ferromagnetic (FM) coupling at higher concentrations. Surprisingly, although Mn is an important alloying…
Through the integration of the power spectral density, we obtain temperature profiles of both multi-segment harmonic and anharmonic systems, showing the presence of an anomalous negative temperature gradient inside the interfacial segment.…
Neutron powder diffraction studies of the crystal and magnetic structures of the magnetocaloric compound Mn1.1Fe0.9(P0.8Ge0.2) have been carried out as a function of temperature, applied magnetic field, and pressure. The data reveal that…
The infrared reflectance of the transition metal chalcogenide 1T-TaS2 has been measured at temperatures from 30K to 360K over 30-45,000cm^-1 (4meV-5.5eV). The optical conductivity was obtained by Kramers-Kronig analysis. At 360K only modest…
Historically, the soft mode theory of ferroelectric phase transitions has been developed for the high-temperature (paraelectric) phase, where the phonon mode softens upon decreasing the temperature. In the low-temperature ferroelectric…
Femtosecond laser excitation of solid-state systems creates non-equilibrium hot electrons that cool down by transferring their energy to other degrees of freedom and ultimately to lattice vibrations of the solid. By combining ab initio…
We investigate with a microscopic model anharmonic K-cation oscillation observed by neutron experiments in beta-pyrochlore superconductor KOs2O6, which also shows a mysterious first-order structural transition at Tp=7.5 K. We have…
We report a comprehensive Raman study of the phonon behaviour in PdSe$_2$ in the temperature range of 5 K to 300 K. A remarkable change in the Raman spectrum is observed at 120 K: a significant enhancement of the out-of-plane phonon…
Phonon quasi-particles have been monumental in microscopically understanding thermodynamics and transport properties in condensed matter for decades. Phonons have one-to-one correspondence with harmonic eigenstates and their energies are…
Inelastic neutron scattering studies have been carried out on selected phonons and magnetic excitations of a crystal of superconducting (SC) Ca$_{10}$Pt$_4$As$_8$(Fe$_{1-x}$Pt$_x$As)$_{10}$ with the onset transition temperature $T_{\rm…
In this paper the phonon self energy produced by anharmonicity is calculated using second order many body perturbation theory for all bcc, fcc and hcp transition metals. The symmetry properties of the phonon interactions are used to obtain…
The interactions between electrons and phonons drive a large array of technologically relevant material properties including ferroelectricity, thermoelectricity, and phase-change behaviour. In the case of many group IV-VI, V, and related…
We employed femtosecond time- and angle-resolved photoelectron spectroscopy to analyze the response of the electronic structure of the 122 Fe-pnictide parent compounds Ba/EuFe_2As_2 and optimally doped BaFe_{1.85}Co_{0.15}As_2 near the…
The detailed optical properties of BaFe2As2 have been determined over a wide frequency range above and below the structural and magnetic transition at T_N = 138 K. A prominent in-plane infrared-active mode is observed at 253 cm^{-1} (31.4…
We measured phonon frequencies and linewidths in doped and undoped BaFe2As2 single crystals by inelastic x-ray scattering and compared our results with density functional theory (DFT) calculations. In agreement with previous work, the…
Using the full potential linear muffin-tin orbitals (FP-LMTO) method we examine the pressure-dependence of superconductivity in the two metallic phases of Boron: bct and fcc. Linear response calculations are carried out to examine the…
BaNi$_2$As$_2$ is a nonmagnetic analogue of the iron pnictide superconductors, and in its tetragonal state exhibits an incommensurate charge-density-wave (IC-CDW) and a sizable elastoresistance. In this work, phonons in BaNi$_2$As$_2$…
Recent experiments suggest that the conditions for ferromagnetic order in, e.g., magnetite, can be modified by adsorption of chiral molecules. Especially, the coercivity of magnetite was increased by nearly 100 \%, or 20 times the earth…
Current phonon transport theory based on ground-state calculations has been successful in predicting thermal conductivity at room and medium temperatures but may misrepresent behavior at high temperatures. In this work, we predict the…
We investigate in the framework of linear response theory the complete phonon dispersion, phonon induced electronic charge response, electron-phonon interaction and dielectric and infrared properties of the high-temperature superconductors…