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 novel 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 the materials with targeting properties.
翻译:交变磁性作为一种新型磁相,已在理论上被提出并在实验上被证实与铁磁性和反铁磁性不同。尽管交变磁体被发现具有许多奇异的物理特性,但已知交变磁性材料的种类极其有限(例如,仅有14种已确认的材料),这阻碍了对这些特性的研究。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,进而促进下一代信息技术(如存储器件和高灵敏度传感器)中的新应用至关重要。在此,我们报告了由一种AI搜索引擎发现的25种新型交变磁性材料,这些材料涵盖金属、半导体和绝缘体,该搜索引擎统一了对称性分析、图神经网络预训练、最优输运理论和第一性原理电子结构计算。广泛的电子结构特征揭示,这些新发现的交变磁性材料展现出多种新颖的物理特性,例如反常霍尔效应、反常克尔效应和拓扑性质。值得关注的是,我们首次发现了8种i波交变磁性材料。总体而言,该AI搜索引擎的表现远超人类专家,并提出了一系列具有独特性质的新型交变磁性材料,凸显了其加速发现具有目标特性材料的潜力。