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

The description of phonon heat conduction has typically been based on Fourier diffusion
theory. However, over the past three decades, a host of interesting phonon transport …

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

The accuracy and efficiency of electronic-structure methods to understand, predict and
design the properties of materials has driven a new paradigm in research. Simulations can …

The thermal conductivity of crystalline materials cannot be arbitrarily low, as the intrinsic limit
depends on the phonon dispersion. We used complementary strategies to suppress the …

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 …

Abstract Machine-learned interatomic potentials enable realistic finite temperature
calculations of complex materials properties with first-principles accuracy. It is not yet clear …

As the periodic atomic arrangement of a crystal is made to a disorder or glassy-amorphous
system by destroying the long-range order, lattice thermal conductivity, κL, decreases, and …

Thermoelectric copper selenides are highly attractive owing to not only their constituent
nontoxic, abundant elements but also their ultralow liquid-like lattice thermal conductivity …

Lead halide perovskites exhibit structural instabilities and large atomic fluctuations thought
to impact their optical and thermal properties, yet detailed structural and temporal …