发表机构
École Polytechnique Fédérale de Lausanne (EPFL); National Cheng Kung University; Slovak Academy of Sciences（洛桑联邦理工学院; 国立成功大学; 斯洛伐克科学院）
机构由 AI 辅助整理，请以论文原文为准。AI 中文总结
本文提出一种从顺磁态线性响应直接识别磁序的方法，无需试探构型，能预测波矢和磁矩模式，并成功验证于多种复杂磁体，为系统搜索磁序提供无偏途径。
AI 中文摘要
材料的磁序通常通过比较试探性自旋构型的能量来预测，这种策略无法达到所选集合之外的序，并且随着磁性位点数量的增加而迅速变得难以处理。我们表明，序可以直接从顺磁态中识别：其自洽磁化响应的主导本征模，在自旋-轨道耦合下于原胞内任意波矢处获得，同时确定序波矢和磁矩模式，无需候选构型。在不对序做任何先验假设的情况下，该方法正确重现了交替磁体候选材料KV$_2$Se$_2$O中具有面外磁矩的G型堆叠、Cu$_2$OSeO$_3$的$3{:}1$亚铁磁四面体，以及单层NiI$_2$的非公度螺旋不稳定性。我们的结果确立了顺磁态的响应作为评估磁序的预测性和无偏途径，使得对复杂磁体的系统搜索成为可能。
英文摘要
The magnetic order of a material is usually predicted by comparing the energies of trial spin configurations, a strategy that cannot reach orders outside the chosen set and rapidly becomes intractable as the number of magnetic sites grows. We show that the order can instead be identified directly from the paramagnetic state: the leading eigenmodes of its self-consistent magnetization response, obtained with spin--orbit coupling at arbitrary wavevector within the primitive cell, determine both the ordering wavevector and the pattern of moments, with no candidate configurations. With no prior assumption about the order, the method correctly reproduces the G-type stacking with out-of-plane moments in the altermagnet candidate KV$_2$Se$_2$O, the $3{:}1$ ferrimagnetic tetrahedra of Cu$_2$OSeO$_3$, and the incommensurate spiral instability of monolayer NiI$_2$. Our results establish the response of the paramagnetic state as a predictive and unbiased route to assessing magnetic order, enabling systematic searches for complex magnets.
