3 papers
cond-mat.mtrl-sci2026
Rotational Soft Modes and Octahedral Distortion as Design Principles for Ultralow Thermal Conductivity in Halide Materials
Yu Wu, Luman Shang, Yufan Liu +4
We establish that ultralow lattice thermal conductivity in halide perovskites and related octahedral framework materials arises from two distinct and complementary mechanisms: (i)…
cond-mat.mtrl-sci2026
Phonon-informed Crystal Structure Classification via Precision-Adaptive ResNet-based Confidence Ensemble
Hongyu Chen, Mengyu Dai, Hongjiang Chen +7
Accurate description of crystal structures is a prerequisite for predicting the physicochemical properties of materials. However, conventional X-ray diffraction (XRD) characterizat…
cond-mat.mtrl-sci2025
Synergy of Rashba and Topological Effects for High-Performance Bismuth-Based Thermoelectrics
Lei Peng, Ruixiao Lian, Hongyu Chen +4
Band convergence is a key strategy for enhancing thermoelectric (TE) performance. Herein, we demonstrate a promising approach to enhance band convergence through inducing Rashba sp…