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arXiv 2602.08773cond-mat.mtrl-scicond-mat.mes-hallcond-mat.other
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反铁磁体表面的涌现交变磁性:完整对称性分类与材料识别

Emergent altermagnetism at surfaces of antiferromagnets: full symmetry classification and material identification

Johannes Gutenberg University Mainz(约翰内斯·古腾堡美因茨大学);Max Planck Institute for the Physics of Complex Systems(马克斯·普朗克复杂系统物理研究所);Max Planck Institute for Chemical Physics of Solids(马克斯·普朗克固体化学物理研究所);Texas A&M University(德克萨斯农工大学);University of Münster(明斯特大学)

Colin Lange, Rodrigo Jaeschke-Ubiergo, Atasi Chakraborty, Xanthe H. Verbeek, Libor Šmejkal, Jairo Sinova, Alexander Mook

AI总结:

本文提出表面自旋群形式主义,完整分类反铁磁体表面的磁性态,识别出涌现的交变磁性,并发现超过150种候选材料,通过第一性原理计算验证了NaMnP和FeGe2中的d波和g波表面交变磁性。

摘要:

我们展示了反铁磁体表面涌现的交变磁性,极大地扩展了具有交变磁性特征的材料候选数量,并通过表面诱导的对称性破缺建立了一条通往二维交变磁性的路径。为此,我们开发了一种表面自旋群形式主义,该形式主义完整分类了所有表面磁性态,并识别了可在反铁磁体表面产生的交变磁性表面自旋群。我们使用该形式主义从MAGNDATA数据库中识别出超过150个具有至少一个交变磁性表面的反铁磁条目,通常同一材料中存在多个这样的表面,并阐明了表面粗糙度和台阶的作用。我们在一个现实的Lieb晶格最小模型中说明了这一涌现现象,并对两个代表性材料候选NaMnP和FeGe2进行了第一性原理计算,它们分别表现出d波和g波表面交变磁性。我们的理论自然地解决了近期ARPES测量在金属性Lieb晶格化合物(如KV$_2$Se$_2$O,已证明其体相为反铁磁性)中报告的d波自旋分裂的矛盾。因此,我们建立了一个新范式,通过功能化丰富的共线反铁磁体材料类别作为可控表面交变磁性的可行平台,来生成有效的二维交变磁性。

英文摘要:

We demonstrate the emergence of altermagnetism at the surfaces of antiferromagnets, vastly expanding the number of material candidates with altermagnetic characteristics and establishing a route towards two-dimensional altermagnetism through surface-induced symmetry breaking. We do so by developing a surface spin group formalism that fully classifies all surface magnetic states and identifies altermagnetic surface spin groups that can arise at the surfaces of antiferromagnets. We use this formalism to identify over 150 antiferromagnetic entries from the MAGNDATA database with at least one altermagnetic surface, often times with multiple such surfaces in the same material, and clarify the role of surface roughness and terraces. We illustrate this emergent phenomenon in a realistic Lieb lattice-based minimal model and present ab initio calculations on two representative material candidates, $\text{NaMnP}$ and $\text{FeGe}_2$, exhibiting $d$-wave and $g$-wave surface altermagnetism, respectively. Our theory naturally resolves the contradiction of recent experimental reports of $d$-wave spin splitting from ARPES measurements on metallic Lieb lattice compounds such as KV$_2$Se$_2$O that have been shown to be antiferromagnetic in the bulk. Hence, we establish a new paradigm for generating effectively two-dimensional altermagnetism by functionalizing the abundant material class of collinear antiferromagnets as viable platforms for controlled surface altermagnetism.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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