Materials with ultrahigh or low thermal conductivity are desirable for many technological
applications, such as thermal management of electronic and photonic devices, heat …

Efficient manipulation of thermal conductivity and fundamental understanding of the
microscopic mechanisms of phonon scattering in crystalline solids are crucial to achieve …

FourPhonon is a computational package that can calculate four-phonon scattering rates in
crystals. It is built within ShengBTE framework, which is a well-recognized lattice thermal …

Two different heat-transport mechanisms are discussed in solids. In crystals, heat carriers
propagate and scatter particlelike as described by Peierls's formulation of the Boltzmann …

Thermoelectricity offers a sustainable path to recover and convert waste heat into readily
available electric energy, and has been studied for more than two centuries. From the …

Crystals and glasses exhibit fundamentally different heat conduction mechanisms: the
periodicity of crystals allows for the excitation of propagating vibrational waves that carry …

Predicting the thermal conductivity of glasses from first principles has hitherto been a very
complex problem. The established Allen-Feldman and Green-Kubo approaches employ …

Over the past few decades, molecular dynamics simulations and first-principles calculations
have become two major approaches to predict the lattice thermal conductivity (κ L), which …

Thermoelectric generators, capable of directly converting heat into electricity, hold great
promise for tackling the ever-increasing energy sustainability issue. The thermoelectric …

This article reviews the theory of electron-phonon interactions in solids from the point of view
of ab initio calculations. While the electron-phonon interaction has been studied for almost a …