23 papers
Twist-induced magnetic topological phase transition in stacked altermagnetic CrO
Zi-Hao Ding, Ze-Feng Gao, Xiang-Hua Kong +2
Interlayer twisting offers a geometric route to controlling electronic states, but whether it can simultaneously reconstruct magnetic symmetry and band topology remains unclear. He…
Emergent d-wave altermagnetism in chlorine-adsorbed FeSe monolayer
Zi-Hao Ding, Ze-Feng Gao, Kai Liu +2
The paper proposes a chlorine‑adsorbed FeSe monolayer (Fe2Se2Cl) that hosts a robust altermagnetic ground state with a giant spin splitting of up to 620 meV, stabilized by gate‑tun…
Ultrafast optical route to coupled ferroelectric and altermagnetic switching
Yuhao Gu, Yu-Hui Song, Peng-Jie Guo +5
Exploring novel magnetoelectric coupling mechanisms to achieve control of ferroelectric polarization and magnetism is highly significant for both fundamental science and electronic…
InvDesMobility: a reliability-gated first-principles feedback framework for closed-loop materials discovery
Wen-Kao Li, Ze-Feng Gao, Peng-Jie Guo +2
Inverse materials design starts from target functionality and searches for structures that can realize it. Its value in closed-loop discovery depends not only on prediction perform…
PhononBench:A Large-Scale Phonon-Based Benchmark for Dynamical Stability in Crystal Generation
Xiao-Qi Han, Ze-Feng Gao, Wen-Kao Li +2
In recent years, generative artificial intelligence has made significant advances in the design of crystalline materials, giving rise to approaches based on graph neural networks,…
LEAP: A closed-loop framework for perovskite precursor additive discovery
Xin-De Wang, Zhi-Rui Chen, Ze-Feng Gao +3
Efficient discovery of precursor additives is essential for improving the performance of perovskite solar cells, yet the large chemical space makes conventional trial-and-error scr…