7 papers
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)…
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…
Ultrafast magneto-lattice dynamics in two-dimensional CrSBr driven by terahertz excitation
Yiqi Huo, Shuo Li, Luo Yan +3
Terahertz (THz) lasers provide a new research perspective for spin electronics applications due to their sub-picosecond time resolution and non-thermal ultrafast demagnetization, b…
SA-GAT-SR: Self-Adaptable Graph Attention Networks with Symbolic Regression for high-fidelity material property prediction
Junchi Liu, Ying Tang, Sergei Tretiak +2
Recent advances in machine learning have demonstrated an enormous utility of deep learning approaches, particularly Graph Neural Networks (GNNs) for materials science. These method…
Decoupled anisotropic Charge-Phonon Transport Enables Exceptional n-Type Thermoelectric Performance in CuBiSCl
Yu Wu, Ying Chen, Shuming Zeng +2
First-principles calculations demonstrate an exceptional decoupling of charge and thermal transport along the \textit{a}-axis in CuBiSCl. The material achieves superior electro…
M\textbf{\textit{O}}enes family materials with Dirac nodal loop, strong light-harvesting ability, long carrier lifetime and conduction-band valley spin splitting
Luo Yan, Junchi Liu, Yu-Feng Ding +3
M\textbf{\textit{O}}enes, as emerging MXenes-like materials, also have wide structural spaces and various chemical and physical properties. Using first-principles and high-throughp…