The tight-binding method is an effective way to study topological insulators. However, an
intrinsic element, ie, the acoustic sum rule (ASR) in phonon systems, has often been …

Effective regulation of phonon thermal conductivity is crucial for the understanding of
phonon transmission and improving thermoelectric (TE) performance. Using density …

With the objective of understanding microscopic principles governing thermal energy flow in
nanojunctions, we study phononic heat transport through metal-molecule-metal junctions …

The thermal properties of interfaces in nanomaterials are critical for various technological
applications, including thermal management in electronic and photonic devices …

Abstract Two-dimensional (2D) semiconductor $\text {MoSi} _2\text {N} _4 $ is a potential
candidate for thermoelectric materials due to its high Seebeck coefficient. However, its high …

Blocking phonon transport via localized resonance is a crucial method for controlling heat
transfer and enhancing thermoelectric performance in nanostructures. However, the effects …

The introduction of spin degree of freedom has not only made the electronic transport
properties colorful, but also highly attracted people's attention to the spin-related quantum …

The quantum thermal transport of elastic excitations through a two-dimensional elastic
waveguide between two thermal reservoirs is studied. We solve the classical Kirchhoff–Love …

Herein, a highly practical first‐principles approach for studying phonon transport across
various materials, ranging from low‐dimensional systems to three‐dimensional bulk …

Efficient manipulation of energy at the nanoscale is crucial for advancements in modern
computing, energy harvesting, and thermal management. Specifically, controlling …