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AI-accelerated Discovery of Altermagnetic Materials

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AI-accelerated Discovery of Altermagnetic Materials 论文配图

Ze-Feng Gao*, Shuai Qu*, Bocheng Zeng*, Yang Liu, Ji-Rong Wen, Hao Sun#, Peng-Jie Guo#, Zhong-Yi Lu#

National Science Review, 12(4): nwaf066, 2025

摘要

In this paper, we successfully discovered 50 new altermagnetic materials that cover metals, semiconductors, and insulators confirmed by the first-principles electronic structure calculations. The wide range of electronic structural characteristics reveals that various novel physical properties manifest in these newly discovered altermagnetic materials, e.g., anomalous Hall effect, anomalous Kerr effect, and topological property.