Rapid developments of integrated circuits in electronics, aerospace, and aeronautics are
always accompanied with the issue of heat diffusion, which impacts service efficiency and …

During the last two decades, we have witnessed great progress in research on
thermoelectrics. There are two primary focuses. One is the fundamental understanding of …

Improving the thermal management of small-scale devices requires developing materials
with high thermal conductivities. The semiconductor boron arsenide (BAs) is an attractive …

ShengBTE is a software package for computing the lattice thermal conductivity of crystalline
bulk materials and nanowires with diffusive boundary conditions. It is based on a full iterative …

A diverse spectrum of technology drivers such as improved thermal barriers, higher
efficiency thermoelectric energy conversion, phase-change memory, heat-assisted magnetic …

Lattice thermal conductivities of zincblende-and wurtzite-type compounds with 33
combinations of elements are calculated with the single-mode relaxation-time approximation …

High-throughput computational materials design is an emerging area of materials science.
By combining advanced thermodynamic and electronic-structure methods with intelligent …

Q uantum ESPRESSO is an integrated suite of open-source computer codes for quantum
simulations of materials using state-of-the-art electronic-structure techniques, based on …

Thermoelectric devices that utilize the Seebeck effect convert heat flow into electrical energy
and are highly desirable for the development of portable, solid state, passively powered …

Following the emergence of many novel two-dimensional (2D) materials beyond graphene,
interest has grown in exploring implications for fundamental physics and practical …