Related papers: Phonons and Lithium diffusion in LiAlO$_2$
We use our recently proposed microscopic modeling in the framework of linear response theory to investigate the complete phonon dispersion, the phonon density of states, certain phonon-induced electronic charge distributions and charge…
We have measured the room-temperature phonon spectrum of Mo-stabilized $\gamma-$U. The dispersion curves show unusual softening near the H point, q=[1/2,1/2,1/2], which may derive from the metastability of the $\gamma-$U phase or from…
An optimally doped iron-based superconductor LaFeAsO$_{0.92}$F$_{0.08}$ with $T_c = 29$ K has been studied by inelastic powder neutron scattering. The magnetic excitation at $Q=1.15$ \AA$^{-1}$ is enhanced below $T_c$, leading to a peak at…
Single crystals of a ternary relaxor ferroelectric system, 0.29Pb(In1/2Nb1/2)O3-0.45Pb(Mg1/3Nb2/3)O3-0.26PbTiO3, have been studied using triple-axis based elastic and inelastic neutron scattering. Elastic diffuse scattering confirms the…
We report a comparative study of the dynamics of Cu2O, Ag2O and Au2O (i.e. M2O with M = Au, Ag and Cu) using first principle calculations based on the density functional theory. Here for the first time we show that the nature of chemical…
This work reports a pulsed laser-assisted synthesis, detailed structural characterization, and study of plasmonic properties of three sets of TiN/TiNO thin films with high electron density. The first two sets of TiN films were grown at 600C…
We report an investigation of the lattice dynamical properties of LiFeAs using inelastic light scattering. Five out of the six expected phonon modes are observed. The temperature evolution of their frequencies and linewidths is in good…
We present a high-throughput computational screening for fast lithium-ion conductors to identify promising materials for application in all solid-state electrolytes. Starting from more than 30,000 Li-containing experimental structures…
Muon spin spectroscopy ($\mu^+$SR) is now an established method to measure atomic scale diffusion coefficients of ions in oxides. This is achieved via the ion hopping rate, which causes periodic change in the local magnetic field at the…
The high frequency dynamics of low- (LDA) and high-density amorphous-ice (HDA) and of cubic ice (I_c) has been measured by inelastic X-ray Scattering (IXS) in the 1-15 nm^{-1} momentum transfer (Q) range. Sharp phonon-like excitations are…
The structure and transport properties of SiO2-Al2O3 melts containing 13 mol% and 47 mol% Al2O3 are investigated by means of large scale molecular dynamics computer simulations. The interactions between the atoms are modelled by a pair…
The study of phonon coupling in doped semiconductors via electrical transport measurements is challenging due to unwanted temperature-induced effects such as dopant ionisation and parallel conduction. Here, we study phonon scattering in 2D…
Cathode materials undergo various phase transitions during the charge/discharge process, and the structural transitions significantly affect the battery performance. Although phonon properties can provide a direct clue for structural…
We report inelastic neutron scattering measurements of the phonon spectra in a pure powder sample of the multiferroic material BiFeO3. A high-temperature range was covered to unravel the changes in the phonon dynamics across the Neel (T_N ~…
We investigate lattice dynamics in LaCoO$_3$ using inelastic neutron and x-ray scattering over $T = 2\mbox{-}650\,\mathrm{K}$, spanning the spin-state crossover at $T_{1} \approx 100\,\mathrm{K}$ and the insulator--metal transition at…
Inelastic and elastic neutron scattering have been used to study a single crystal of the Ni$_{54}$Mn$_{23}$Al$_{23}$ Heusler alloy over a broad temperature range. The paper reports the first experimental determination of the low-lying…
Many crystals, such as lanthanum zirconate (La2Zr2O7), exhibit a flat temperature dependence of thermal conductivity at elevated temperatures. This phenomenon has recently been attributed to the inter-band phonon tunneling (or diffuson)…
We have developed the approach for analyzing of anisotropy of acoustooptic figure of merit (AOFM) for lithium niobate crystals in the case of isotropic acoustooptic (AO) diffraction. The working relations for the effective elastooptic…
We have investigated the electronic, vibrational, optical, thermal and piezoelectric properties of LiNbO$_3$, LiTaO$_3$ and Li$_2$NbTaO$_6$ using the first-principles calculation based on the density functional theory. It also shows…
Muon spin relaxation measurements are reported on three members of the LixMPO4 series. The magnetic properties of stoichiometric samples with M = Ni, Co, Fe, were investigated at low-temperature. In LiNiPO4 we observe different forms of the…