Related papers: Phonon Dispersion Calculation for Binary Alloys Us…
Phonon spectra of detwinned {SrFe$_2$As$_2$} crystals, as measured by inelastic x-ray scattering, show clear anisotropy accompanying the magneto-structural transition at 200 K. We model the mode splitting using magnetic DFT calculations,…
By combining neutron inelastic scattering (NIS) and first-principles calculations, we have investigated the lattice dynamics of MOF5. The structural stability of MOF5 was evaluated by calculating the three cubic elastic constants. We find…
The magnetization distribution, its energetic characterization by the interlayer coupling constants and lattice dynamics of (001)-oriented Fe/Pt multilayers are investigated using density functional theory combined with the direct method to…
We revisit the quantitative analysis of the ultrafast magneto-acoustic experiment in a freestanding nickel thin film by Kim and Bigot [1] by applying our recently proposed approach of magnetic and acoustic eigenmodes decomposition by Vernik…
Phonon dynamics, charge response and the phonon density of states are calculated for the high-temperature superconductors HgBa$_{2}$CuO$_{4}$ and Bi$_{2}$Sr$_{2}$CuO$_{6}$ within a microscopic model for the electronic density response. The…
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 calculate the phonon density of states (DOS) for strongly amorphous materials with a short-ranged interatomic potential. Exponentially decaying and abruptly truncated interatomic potentials are examined. Thermally excited mean square…
I apply the newly developed dynamical cluster approximation (DCA) to the calculation of the electron and phonon dispersions in the two dimensional Holstein model. In contrast to previous work, the DCA enables the effects of spatial…
The phonon dispersions of $\mathrm{Nd_{1.86}Ce_{0.14}CuO_{4+\delta}}$ along the $[\xi,0,0]$ direction have been determined by inelastic x-ray scattering. Compared to the undoped parent compound, the two highest longitudinal phonon branches,…
We review our recent development of a first-principles lattice dynamics method that can treat anharmonic effects nonperturbatively. The method is based on the self-consistent phonon theory and temperature-dependent phonon frequencies can be…
We report the changes in dispersion relations of hypersonic acoustic phonons in free-standing silicon membranes as thin as \sim 8 nm. We observe a reduction of the phase and group velocities of the fundamental flexural mode by more than one…
We report measurement of temperature dependence of phonon spectra in quasi one-dimensional metal cyanides MCN (M=Cu, Ag and Au). Ab initio lattice dynamics calculations have been performed to interpret the phonon-spectra as well as to…
Alloying is widely used as a means to fine-tune the properties of thermoelectric materials by reducing the lattice thermal conductivity. However, the effects of compositional variation on the lattice dynamics of alloy systems are not well…
Due to it's simplicity the diffuse mismatch model (DMM) remains a popular description of phonon transmission across solid-solid boundaries. However, it remains unclear in which situations the DMM should be expected to be a valid model of…
The breakdown of translational symmetry at heterointerfaces leads to the emergence of new phonon modes localized near the interface. These interface phonons play an essential role in thermal/electrical transport properties in devices…
Two-dimensional gallium nitride (2D-GaN) has great potential in power electronics and optoelectronics. Heat dissipation is a critical issue for these applications of 2D-GaN. Previous studies showed that higher-order phonon-phonon scattering…
We investigated the lattice dynamics of quasi-two-dimensional Pd-intercalated $\mathrm{ErTe}_3$ in relation to its charge-density-wave (CDW) transitions by means of x-ray diffuse and meV-resolution inelastic x-ray scattering. In pristine…
As an alternative to atomistic calculations of long-wavelength acoustic modes of atomically thin layers, which are known to converge very slowly, we propose a quantitatively predictive and physically intuitive approach based on continuum…
The long-wavelength behavior of vibrational modes plays a central role in carrier transport, phonon-assisted optical properties, superconductivity, and thermomechanical and thermoelectric properties of materials. Here, we present general…
Phonons-quantized vibrational modes in crystalline structures-govern phenomena ranging from thermal and mechanical transport to quantum mechanics. In recent years, a new class of artificial materials called phononic crystals has emerged,…