4 papers · 1 filter
Ab initio-based Deep-Learning Prediction of Carrier Mobility in Strongly Anharmonic Materials
Juan Zhang, Boheng Zhao, Yang Li +4
Predicting charge transport in strongly anharmonic materials, particularly ultralow thermal conductors, remains a major challenge for first-principles methods. In such systems, per…
NanoBTE: Fast Iterative Solution of the Phonon Boltzmann Transport Equation for Nanoscale Heat Transport
Hongjiang Chen, Hai-Xuan Lin, Xiaole Tian +7
Nanoscale heat dissipation has become a critical challenge in advanced semiconductor devices, where phonon transport can strongly deviate from the classical Fourier description due…
Cooperative Suppression Strategy for Dual Thermal Transport Channels in Crystalline Materials
Yu Wu, Ying Chen, Shuming Zeng +4
We propose a novel design principle for achieving ultralow thermal conductivity in crystalline materials via a "heavy-light and soft-stiff" structural motif. By combining heavy and…
Ultralow lattice thermal transport and considerable wave-like phonon tunneling in chalcogenide perovskite BaZrS
Yu Wu, Ying Chen, Qiaoqiao Li +4
Chalcogenide perovskites provide a promising avenue for non-toxic, stable thermoelectric materials. Here, thermal transport and thermoelectric properties of BaZrS as a typical…