Abstract Since penta-graphene (PG), a two-dimensional (2D) carbon allotrope exclusively
composed of five-membered rings, was proposed in 2015, a great deal of effort has been …

Searching for new high‐performance thermoelectric (TE) materials that are economical and
environmentally friendly is an urgent task for TE society, but the advancements are greatly …

EPW is an open-source software for ab initio calculations of electron–phonon interactions
and related materials properties. The code combines density functional perturbation theory …

Owing to its unique geometry, the kagome lattice hosts various many-body quantum states
including frustrated magnetism, superconductivity, and charge-density waves (CDWs). In …

Aliovalent do** is a way to optimize the electrical properties of semiconductors, but its
impact on the phonon structure and propagation is seldom considered properly. Here we …

Semiconductors with high thermal conductivity and electron-hole mobility are of great
importance for electronic and photonic devices as well as for fundamental studies. Among …

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 …

Abstract The EPW (Electron-Phonon coupling using Wannier functions) software is a
Fortran90 code that uses density-functional perturbation theory and maximally localized …

The heat dissipation issue has now become one of the most important bottlenecks for power
electronics due to the rapid increase in power density and working frequency. Towards the …

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 …