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Kagome晶格磁性外尔半金属中的隐藏局域对称性破缺

Hidden Local Symmetry Breaking in a Kagome-Lattice Magnetic Weyl Semimetal.

作者信息

Zhang Qiang, Zhang Yuanpeng, Matsuda Masaaki, Garlea Vasile Ovidiu, Yan Jiaqiang, McGuire Michael A, Tennant D Alan, Okamoto Satoshi

机构信息

Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee37831, United States.

Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee37831, United States.

出版信息

J Am Chem Soc. 2022 Aug 10;144(31):14339-14350. doi: 10.1021/jacs.2c05665. Epub 2022 Jul 28.

Abstract

Exploring the relationship between intriguing physical properties and structural complexity is a central topic in studying modern functional materials. CoSnS, a newly discovered kagome-lattice magnetic Weyl semimetal, has triggered intense interest owing to the intimate coupling between topological semimetallic states and peculiar magnetic properties. However, the origins of the magnetic phase separation and spin glass state below in this ordered compound are two unresolved yet important puzzles in understanding its magnetism. Here, we report the discovery of local symmetry breaking surprisingly co-emerges with the onset of ferromagnetic order in CoSnS, by a combined use of neutron total scattering and half-polarized neutron diffraction. An anisotropic distortion of the cobalt kagome lattice at the atomic/nano level is also found, with distinct distortion directions among the two Co1 and four Co2 atoms. The mismatch of local and average symmetries occurs below , indicating that CoSnS evolves to an intrinsically lattice disordered system when the ferromagnetic order is established. The local symmetry breaking with intrinsic lattice disorder provides new understanding of the puzzling magnetic properties. Our density functional theory (DFT) calculation indicates that the local symmetry breaking is expected to reorient local ferromagnetic moments, unveiling the existence of the ferromagnetic instability associated with the lattice instability. Furthermore, DFT calculation unveils that the local symmetry breaking could affect the Weyl property by breaking the mirror plane. Our findings highlight the fundamentally important role that the local symmetry breaking plays in advancing our understanding on the magnetic and topological properties in CoSnS, which may draw attention to explore the overlooked local symmetry breaking in CoSnS, its derivatives and more broadly in other topological Dirac/Weyl semimetals and kagome-lattice magnets.

摘要

探索引人入胜的物理性质与结构复杂性之间的关系是研究现代功能材料的核心主题。CoSnS是一种新发现的 Kagome 晶格磁性外尔半金属,由于拓扑半金属态与奇特磁性之间的紧密耦合而引发了强烈的兴趣。然而,在这种有序化合物中,低于某一温度时磁相分离和自旋玻璃态的起源是理解其磁性的两个尚未解决但很重要的谜题。在这里,我们通过联合使用中子全散射和半极化中子衍射报告了一个发现:在CoSnS中,局部对称性破缺令人惊讶地与铁磁序的开始同时出现。还发现了钴Kagome晶格在原子/纳米尺度上的各向异性畸变,在两个Co1原子和四个Co2原子之间具有不同的畸变方向。局部对称性与平均对称性的不匹配在某一温度以下出现,这表明当建立铁磁序时,CoSnS演变成一个本质上晶格无序的系统。具有内在晶格无序的局部对称性破缺为令人困惑的磁性提供了新的理解。我们的密度泛函理论(DFT)计算表明,局部对称性破缺预计会使局部铁磁矩重新定向,揭示了与晶格不稳定性相关的铁磁不稳定性的存在。此外,DFT计算揭示局部对称性破缺可能通过破坏镜面来影响外尔性质。我们的发现突出了局部对称性破缺在推进我们对CoSnS中磁性和拓扑性质理解方面所起的根本重要作用,这可能会引起人们对探索CoSnS及其衍生物以及更广泛地在其他拓扑狄拉克/外尔半金属和Kagome晶格磁体中被忽视的局部对称性破缺的关注。

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