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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…
We investigate the effect of electron-phonon inelastic scattering on shot noise in nanoscale junctions in the regime of quasi-ballistic transport. We predict that when the local temperature of the junction is larger than its lowest…
Traditional models of interfacial phonon scattering, including the acoustic mismatch model (AMM) and diffuse mismatch model (DMM), take into account the bulk properties of the material surrounding the interface, but not the atomic structure…
The community currently lacks a complete understanding of how resonant inelastic x-ray scattering (RIXS) experiments probe the electron-phonon ($e$-ph) interaction in solids. For example, most theoretical models of this process have focused…
We present an ab initio computational approach for the calculation of resonant Raman intensities, including both excitonic and non-adiabatic effects. Our diagrammatic approach, which we apply to two prototype, semiconducting layered…
Crystalline solids are generally known as excellent heat conductors, amorphous materials or glasses as thermal insulators. It has thus come as a surprise that certain crystal structures defy this paradigm. A prominent example are type-I…
We show that the coupling to vibrational degrees of freedom can drive a semimetal excitonic-insulator quantum phase transition in an one-dimensional two-band f-c electron system at zero temperature. The insulating state typifies an…
Thermal boundary resistance is a critical quantity that controls heat transfer at the nanoscale, which is primarily related to interfacial phonon scattering. Here, we combine lattice dynamics calculations and inputs from first principles ab…
The relaxation of a spatially sinusoidal temperature perturbation in a dielectric crystal at a temperature comparable to or higher than the Debye temperature is investigated theoretically. We assume that most phonons contributing to the…
It is well known that conventional harmonic lattice dynamics cannot be applied to energetically unstable crystals at 0 K, such as high temperature body centered cubic (BCC) phase of crystalline Zr. Predicting phonon spectra at finite…
The s-wave pion-kaon ($\pi K$) scattering lengths at zero momentum are calculated in lattice QCD with sufficiently light $u/d$ quarks and strange quark at its physical value by the finite size formula. The light quark masses correspond to…
We simulate propagation of phonon-polaritons (admixtures of polar lattice vibrations and electromagnetic waves) in ferroelectric LiNbO3 with a model that consists of a spatially periodic array of harmonic oscillators coupled to THz…
A first-principles density functional method along with the direct solution of linearized Boltzmann transport equations are employed to systematically analyze the low-temperature thermal transport in crystalline GeTe. The extensive thermal…
Nanocrystalline silicon and silicon-germanium alloys are promising thermoelectric materials that have achieved substantially improved figure of merits compared to their bulk counterparts. This enhancement is typically attributed to a…
We consider diffusion of vibrations in 3d harmonic lattices with strong force-constant disorder. Above some frequency w_IR, corresponding to the Ioffe-Regel crossover, notion of phonons becomes ill defined. They cannot propagate through the…
We investigate the transient photoexcited lattice dynamics in a layered perovskite Mott insulator Sr2IrO4 by femtosecond X-ray diffraction using a laser plasma-based X-ray source. Ultrafast structural dynamics of Sr2IrO4 thin films are…
The specular reflectivity of slow, metastable neon atoms from a silicon surface was found to increase markedly when the flat surface was replaced by a grating structure with parallel narrow ridges. For a surface with ridges that have a…
We develop an ab initio method to simulate the infrared vibrational response of metallic systems in the framework of time-dependent density functional perturbation theory. By introducing a generalized frequency-dependent Born effective…
The ability to use photonic quasiparticles to control electromagnetic energy far below the diffraction limit is a defining paradigm in nanophotonics. An important recent development in this field is the measurement and manipulation of…
In polar semiconductors and oxides, the long-range nature of the electron-phonon (\textit{e}-ph) interaction is a bottleneck to compute charge transport from first principles. Here, we develop an efficient ab initio scheme to compute and…