The coupling of lattice dynamics and phonon transport methodologies with density
functional theory has become a powerful tool for calculating lattice thermal conductivity (κ) …

This chapter reviews nonresonant, meV-resolution inelastic x-ray scattering (IXS), as applied
to the measurement of atomic dynamics of crystalline materials. It, in conjunction with a …

For decades, the three-phonon scattering process has been considered to govern thermal
transport in solids, while the role of higher-order four-phonon scattering has been …

Understanding thermal transport mechanisms in phase change materials is critical to
elucidating the microscopic picture of phase transitions and advancing thermal energy …

Recently, the important role of high-order anharmonic phonon–phonon interactions has
been revealed in several materials, such as cubic boron arsenide (BAs), in which the wide …

ABSTRACT Coupling of the Peierls-Boltzmann equation with density functional theory
paved the way for predictive thermal materials discovery and a variety of new physical …

We compute the transient dynamics of phonons in contact with high energy “hot” charge
carriers in 12 polar and nonpolar semiconductors, using a first-principles Boltzmann …

The long free-space wavelengths associated with the mid-to far-infrared spectral range
impose significant limitations on the form factor of associated optic and electro-optic …

Through first-principles calculations, the phonon-limited transport properties of cubic boron-
V compounds (BP, BAs, and BSb) are studied. We find that the high optical phonon …

First-principle calculations have been executed to examine the optical and electronic
properties of two-dimensional GaN/BAs heterostructures with three possible stacking orders …