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Despite the ubiquity of applications of heat transport across nanoscale interfaces, including integrated circuits, thermoelectrics, and nanotheranostics, an accurate description of phonon transport in these systems remains elusive. Here we…
Computationally efficient modeling of the thermal conductivity of materials is crucial to thorough experimental planning and theoretical understanding of thermal properties. We present a modeling approach in this work that utilizes…
A temperature-dependent approach involving Green-Kubo equilibrium atomic and spin dynamics (GKEASD) is reported to assess phonon and magnon thermal transport processes accounting for phonon-magnon interactions. Using body-center cubic (BCC)…
Acoustic devices play an important role in classical information processing. The slower speed and lower losses of mechanical waves enable compact and efficient elements for delaying, filtering, and storing of electric signals at radio and…
Oscillations of conductance observed in strong magnetic fields are a striking manifestation of the quantum dynamics of charge carriers in solids. The large charge carrier density in typical metals sets the scale of oscillations in both…
Thermoelectrics are a promising class of materials for renewable energy owing to their capability to generate electricity from waste heat, with their performance being governed by a competition between charge and thermal transport. A…
Thermal transport by phonons in films with thicknesses of less than 10 nm is investigated in a soft system (Lennard-Jones argon) and a stiff system (Tersoff silicon) using two-dimensional lattice dynamics calculations and the Boltzmann…
The search for low-mass dark matter (DM) goes in parallel with the identification of new detection channels and the development of suitable detectors. Detection of the resulting small energy depositions is challenging: it requires extremely…
Condensed matter materials have shown great potential in searching for light dark matter (DM) via detecting the phonon or magnon signals induced by the scattering of DMs off the materials. In this paper, we study the possibility of…
Progress in the development of coupled atomistic-continuum methods for simulations of critical dynamic material behavior has been hampered by a spurious wave reflection problem at the atomistic-continuum interface. This problem is mainly…
Using a computationally inexpensive frozen phonon approach we have developed a technique which can be used to screen large unit cell materials and systems for enhanced superconducting critical temperatures. The method requires only density…
Anisotropic phonon transport along different lattice directions of two-dimensional (2D) materials has been observed, however, the effect decreases with increasing the thickness beyond a few atomic layers. Here we establish a novel mechanism…
We review the recent progress in the density functional theory for superconductors (SCDFT). Motivated by the long-studied plasmon mechanism of superconductivity, we have constructed an exchange-correlation kernel entering the SCDFT gap…
An optical phonon limited velocity model has been employed to investigate high-field transport in a selection of layered 2D materials for both, low-power logic switches with scaled supply voltages, and high-power, high-frequency…
Various dark matter search experiments employ phonon-based crystal detectors operated at cryogenic temperatures. Some of these detectors, including certain silicon detectors used by the SuperCDMS Collaboration, are able to achieve…
We propose the use of several unconventional materials as detectors for dark matter with mass beneath the MeV scale. These include the transition-metal dichalcogenide TiSe$_2$ hosting a low-energy plasmon in the charge-density-wave phase,…
One trend in dark matter direct detection is the development of techniques which will lower experimental thresholds and achieve sensitivity to light mass dark matter particles. In doing so, it is necessary to have an understanding of the…
We perform a large scale study of conventional superconducting materials using a machine-learning accelerated high-throughput workflow. We start by creating a comprehensive dataset of around 7000 electron-phonon calculations performed with…
The cross-plane (across-layers) phonon thermal transport of five diverse, layered semiconductors is investigated by accounting for higher-order four-phonon scattering, phonon renormalization, and multi-channel thermal transport. For…
The SuperCDMS collaboration is a dark matter search effort aimed at detecting the scattering of WIMP dark matter from nuclei in cryogenic germanium targets. The CDMS Detector Monte Carlo (CDMS-DMC) is a simulation tool aimed at achieving a…