相关论文: Validating First-Principles Phonon Lifetimes via I…

Understanding phonon transport across heterojunctions is important to achieve a wide range of thermal transport properties. Using the McKelvey-Shockley flux method with first-principles modeling, we theoretically investigate the phonon…

We have investigated the effect on phonon energy transport in mesoscopic systems and the reduction in the thermal conductance in the quantum limit due to phonon scattering by surface roughness using full 3-dimensional elasticity theory for…

Distortions of bound nucleon space-time structure, measured in deep inelastic scattering off nuclei, are discussed from view-point of a theoretical approach based on the Bethe-Salpeter formalism. It is shown that modification of the…

Phonon modes within pristine crystalline resonators now routinely reach the quantum ground state. Such systems are attractive for quantum information science applications, as advanced fabrication and processing can enable relatively long…

This work, presents a study of lifetime of carriers due to intrinsic scattering mechanisms $viz.$ electron-electron (EEI), electron-phonon (EPI) and phonon-phonon interactions (PPI) in a promising half-Heusler thermoelectric FeVSb. Using…

While spatial phonon coherence manifested through band folding is believed to be a key factor governing the anomalous thermal conductivity of periodic structures, we investigate phonon transport from the perspective of temporal coherence.…

We present a method to analyze the results of first-principles based calculations of electronic currents including inelastic electron-phonon effects. This method allows us to determine the electronic and vibrational symmeties in play, and…

For rotationally invariant first passage percolation (FPP) on the plane, we use a multi-scale argument to prove stretched exponential concentration of the first passage times at the scale of the standard deviation. Our results are proved…

This study presents the first experimental validation of a Hessian-free ray-Born inversion technique for quantitative reconstruction of sound speed from transmission ultrasound data. The method combines single-scattering theory with…

Electron-phonon interaction is of central importance for the electrical and heat transport properties of metals, and is directly responsible for charge-density-waves or (conventional) superconducting instabilities. The direct observation of…

The control of phonon scattering by interfaces is critical to the manipulation of heat conduction in composite materials and semiconducting nanostructures. However, one of the factors limiting our understanding of elastic phonon scattering…

The electron-phonon interaction and related transport properties are investigated in monolayer silicene and MoS2 by using a density functional theory calculation combined with a full-band Monte Carlo analysis. In the case of silicene, the…

We investigate by first-principles simulations the resonant electron-transfer lifetime from the excited state of an organic adsorbate to a semiconductor surface, namely isonicotinic acid on rutile TiO$_2$(110). The molecule-substrate…

We present a first-principles framework to investigate the electron scattering channels and transport properties for polar material by combining the exact solution of linearized electron-phonon (e-ph) Boltzmann transport equation in its…

Describing electron-phonon interactions in a solid requires knowledge of the electron-phonon matrix elements in the Hamiltonian. State-of-the-art first-principles calculations for the electron-phonon interaction are limited to the…

The variational stochastic self-consistent harmonic approximation is combined with the calculation of third-order anharmonic coefficients within density-functional perturbation theory and the "$2n+1$" theorem to calculate anharmonic…

We study first-return statistics for photons undergoing three-dimensional Henyey-Greenstein scattering in a semi-infinite medium. In previous work, we showed that one-dimensional first-passage probabilities can be expanded using Catalan and…

We introduce a computational framework for first-principles density matrix transport within the Wigner function formalism to predict transport of quantum-mechanical degrees of freedom such as spin over long time and length scales. This…

A nanoscale phononic crystal filter (reflector) is designed for a kinetic inductance detector where the reflection band is matched to the quasiparticle recombination phonons with the aim to increase quasiparticle lifetime in the…

First principles predictions of lattice dynamics are of vital importance for a broad range of topics in materials science and condensed matter physics. The large-scale nature of lattice dynamics calculations and the desire to design novel…