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

Significant progress has been made in the past two decades about the micro/nanoscale
heat conduction. Many computational methods have been developed to accommodate the …

The potential for advances in thermoelectric materials, and thus solid-state refrigeration and
power generation, is immense. Progress so far has been limited by both the breadth and …

One of the fundamental properties of semiconductors is their ability to support highly tunable
electric currents in the presence of electric fields or carrier concentration gradients. These …

Carrier mobility is at the root of our understanding of electronic devices. We present a unified
methodology for the parameter-free calculations of phonon-limited drift and Hall carrier …

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

Transistor concepts based on semiconductor nanowires promise high performance, lower
energy consumption and better integrability in various platforms in nanoscale dimensions …

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 …

Structural phase transitions and soft phonon modes pose a long-standing challenge to
computing electron-phonon (e-ph) interactions in strongly anharmonic crystals. Here we …

Thermoelectric properties of monolayer indium selenide (InSe) are investigated by using
Boltzmann transport theory and first-principles calculations as a function of Fermi energy …