发表机构
Institute of Physics, Czech Academy of Sciences（捷克科学院物理研究所）
机构由 AI 辅助整理，请以论文原文为准。AI 中文总结
该研究对共享四方Cu$_2$Sb型结构的50余种金属间化合物进行密度泛函理论计算，发现20多种新的反铁磁候选材料，为自旋电子学应用提供理论指导。
AI 中文摘要
反铁磁金属CuMnAs已成为反铁磁自旋电子学的主力材料。在该材料中已展示了广泛的现象，最著名的是电流诱导切换和热驱动淬灭切换，两者均首次在CuMnAs中实现。CuMnAs属于一个更大的金属间化合物家族，该家族共享四方Cu$_2$Sb型结构，但该家族大多数成员的磁性及其在自旋电子学中的潜力尚未被研究。在此，我们报告了对该家族超过50种化合物的磁性和电子结构进行的系统性密度泛函理论（DFT）研究，旨在为未来面向自旋电子学应用的理论和实验工作提供指导。我们发现了广泛的磁性基态，其中包括超过20种新的反铁磁候选材料。
英文摘要
The antiferromagnetic metal CuMnAs has become a workhorse of antiferromagnetic spintronics. A broad range of phenomena has been demonstrated in this material, most notably current-induced switching and heat-driven quench switching, both first realized in CuMnAs. CuMnAs belongs to a much larger family of intermetallic compounds sharing the tetragonal Cu$_2$Sb-type structure, yet the magnetic properties of most of its members, and their potential for spintronics, have not been studied. Here we report a systematic density functional theory (DFT) study of the magnetic and electronic structure of more than 50 compounds of this family, intended to guide future theoretical and experimental work toward spintronic applications. We find a wide range of magnetic ground states, among them over 20 new antiferromagnetic candidates.
