INTRODUCTION Phonon scattering at the interface between two materials results in a thermal resistance, R [1]. An ability to accurately predict the thermal resistance of semiconductor interfaces is important in devices where phonon interface scattering is a significant contributor to the overall thermal resistance (e.g., computer chips with high component density). This ability will also lead to...

Modern ab initio calculations are becoming an essential, complementary tool to inelastic x-ray scattering studies, where x-rays are scattered inelastically to resolve meV phonons. Calculations of the inelastic structure factor for any value of Q assist in both planning the experiment and analyzing the results. Moreover, differences between the measured data and theoretical calculations help ide...

The phonon dynamics of the low-temperature superconductor Sr2RuO4 is calculated quantitatively in linear response theory and compared with the structurally isomorphic high-temperature superconductor La2CuO4. Our calculation corrects for a typical deficit of LDA-based calculations which always predict a too large electronic kz-dispersion insufficient to describe the c-axis response in the real m...

We develop a computational framework, based on the Boltzmann transport equation (BTE), with the ability to compute thermal transport in nanostructured materials of any geometry using, as the only input, the bulk cumulative thermal conductivity. The main advantage of our method is twofold. First, while the scattering times and dispersion curves are unknown for most materials, the phonon mean fre...

I present results from an approach that extends the Eliashberg theory by systematic expansion in the vertex function; an essential extension at large phonon frequencies, even for weak coupling. In order to deal with computationally expensive double sums over momenta, a dynamical cluster approximation (DCA) approach is used to incorporate momentum dependence into the Eliashberg equations. First,...

One-dimensional (1D) materials such as various kinds of nanowires and nanotubes have attracted considerable attention due to their potential applications in electronic and energy conversion devices. The thermal transport phenomena in these nanowires and nanotubes could be significantly different from that in bulk material due to boundary scattering, phonon dispersion relation change, and quantu...

We present a first principles investigation of the lattice dynamics and electron-phonon coupling of the superconductor MgB2 and the isostructural AlB2 within the framework of density functional perturbation theory using a mixed-basis pseudopotential method. Complete phonon dispersion curves and Eliashberg functions αF are calculated for both systems. We also report on Raman measurements, which ...

Raman spectroscopy results obtained under visible (non-resonant) and UV (resonant) excitation for nanocrystalline ZnO, ZnO:Mn and ZnO:Mn:Al thin films grown by radio frequency magnetron sputtering are presented and compared. The origin of the multiple longitudinal optical (LO) phonon Raman peaks, strongly enhanced under resonance conditions, and the effects of the dopants on them are discussed ...

We studied the electronic energies and phonon frequencies of polydiacetylene 4-BCMU thin films at high pressures up to 50 kbar using Raman scattering under preresonant and resonant conditions. Pressure-induced changes in the resonant Raman scattering (RRS) include (1) hardening of the most strongly coupled phonon frequencies, (2) dispersion of the RRS frequencies with the laser excitation coL, ...

Intense electron-phonon scattering near the peak electric field in a semiconductor device results in nanometer-scale phonon hotspots. Past studies have argued that ballistic phonon transport near such hotspots serves to restrict heat conduction. We reexamine this assertion by developing a new phonon transport model. In a departure from previous studies, we treat isotropic dispersion in all phon...