Altermagnetism, a new magnetic phase, has been theoretically proposed and experimentally verified to be distinct from ferromagnetism and antiferromagnetism. Although altermagnets have been found to possess many exotic physical properties, the very limited availability of known altermagnetic materials~(e.g., 14 confirmed materials) hinders the study of such properties. Hence, discovering more types of altermagnetic materials is crucial for a comprehensive understanding of altermagnetism and thus facilitating new applications in the next generation information technologies, e.g., storage devices and high-sensitivity sensors. Here, we report 25 new altermagnetic materials that cover metals, semiconductors, and insulators, discovered by an AI search engine unifying symmetry analysis, graph neural network pre-training, optimal transport theory, and first-principles electronic structure calculation. The wide range of electronic structural characteristics reveals that various innovative physical properties manifest in these newly discovered altermagnetic materials, e.g., anomalous Hall effect, anomalous Kerr effect, and topological property. Noteworthy, we discovered 8 $i$-wave altermagnetic materials for the first time. Overall, the AI search engine performs much better than human experts and suggests a set of new altermagnetic materials with unique properties, outlining its potential for accelerated discovery of altermagnetic materials.
翻译:交变磁性作为一种新型磁性相,已在理论上被提出并经实验验证区别于铁磁性和反铁磁性。尽管已发现交变磁体具有许多奇异物性,但已知交变磁性材料(如14种已确认材料)的极度匮乏阻碍了对这类性质的研究。因此,发现更多类型的交变磁性材料对于全面理解交变磁性、进而推动其在下一代信息技术(如存储器件和超高灵敏度传感器)中的新应用至关重要。本文通过融合对称性分析、图神经网络预训练、最优传输理论与第一性原理电子结构计算的AI搜索引擎,报道了涵盖金属、半导体和绝缘体的25种新型交变磁性材料。广泛的电子结构特征揭示出这些新发现的交变磁性材料中显现出多种创新物性,例如反常霍尔效应、反常克尔效应和拓扑性质。值得注意的是,我们首次发现了8种$i$波交变磁性材料。总体而言,该AI搜索引擎的性能远超人类专家,并推荐出一批具有独特性质的新型交变磁性材料,为加速交变磁性材料的发现展现了巨大潜力。