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Cubic silicon carbide phonon thermal conductivity has been calculated using anharmonic phonon analysis. The atomic interaction model was built using displacement-force data obtained with the High Efficiency Configuration Space Sampling…
This review summarizes recent studies of thermal transport in nanoscaled semiconductors. Different from bulk materials, new physics and novel thermal properties arise in low dimensional nanostructures, such as the abnormal heat conduction,…
Nanostructured semiconducting materials are promising candidates for thermoelectrics due to their potential to suppress phonon transport while preserving electrical properties. Modeling phonon-boundary scattering in complex geometries is…
In recent years, theoretical and experimental interest in dark matter (DM) candidates have shifted focus from primarily Weakly-Interacting Massive Particles (WIMPs) to an entire suite of candidates with masses from the zeV-scale to the…
The propagation of a heat pulse in a single crystal and across grain boundaries (GBs) is simulated using a concurrent atomistic-continuum method furnished with a coherent phonon pulse model. With a heat pulse constructed based on a…
Coherent wave effects of thermal phonons hold promise of transformative opportunities in thermal transport control but remain largely unexplored due to the small wavelength of thermal phonons, typically below a few nanometers. This small…
Using first-principles modeling, we investigate how phonon transport evolves in layered/van der Waals materials when going from 3D to 2D, or vice versa, by gradually pulling apart the atomic layers in graphite to form graphene. Focus is…
Electron-phonon coupling is a key interaction that governs diverse physical processes such as carrier transport, superconductivity, and optical absorption. Calculating such interactions from first-principles with methods beyond…
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…
We present the technical design for the SuperCDMS high-voltage, low-mass dark matter detectors, designed to be sensitive to dark matter down to 300 MeV/$c^2$ in mass and resolve individual electron-hole pairs from low-energy scattering…
With great interest from the quantum computing community, an immense amount of R&D effort has been invested into improving superconducting qubits. The technologies developed for the design and fabrication of these qubits can be directly…
Collective excitations in condensed matter systems, such as phonons and magnons, have recently been proposed as novel detection channels for light dark matter. We show that excitation of i) optical phonon polaritons in polar materials in an…
In this paper we simulate the emission by charged particles in complex structures with help of Geant4. We take into account Cherenkov radiation, transition radiation, bremsstrahlung, pair production and other accompanying processes. As an…
Perturbo is a software package for first-principles calculations of charge transport and ultrafast carrier dynamics in materials. The current version focuses on electron-phonon interactions and can compute phonon-limited transport…
We present a machine-learning interatomic potential (MLIP) framework, which substantially accelerates the prediction of lattice thermal conductivity for both particle-like and wave-like thermal transport, including three-phonon and…
Microcalorimeters that leverage microwave kinetic inductance detectors to read out phonon signals in the particle-absorbing target, referred to as kinetic inductance phonon-mediated (KIPM) detectors, offer an attractive detector…
Using harmonic and anharmonic force constants extracted from density-functional calculations within a supercell, we have developed a relatively simple but general method to compute thermodynamic and thermal properties of any crystal. First,…
We report the first demonstration of a phonon-mediated silicon detector technology that provides a primary phonon measurement in a low-voltage region, and a simultaneous indirect measurement of the ionization signal through…
The lattice thermal conductivity ($\kappa$) of two ceramic materials, cerium dioxide (CeO$_2$) and magnesium oxide (MgO), is computed up to 1500 K using first principles and the phonon Boltzmann Transport Equation (PBTE) and compared to…
With the rapid advances in the development of nanotechnology, nowadays, the sizes of elementary unit, i.e. transistor, of micro- and nanoelectronic devices are well deep into nanoscale. For the pursuit of cheaper and faster nanoscale…