四元Heusler合金comval和CoMnCrSi的电子和拓扑性质：第一性原理研究

IF 3 3区材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of Magnetism and Magnetic Materials Pub Date : 2025-09-23 DOI:10.1016/j.jmmm.2025.173539

Madhumita Halder, Athira Venugopalan, Raghu Chatanathodi

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引用次数: 0

摘要

研究了四元Heusler合金comval和CoMnCrSi的电子、磁性和拓扑性能。采用密度泛函理论和紧结合近似相结合的方法研究了这些合金的电子结构和拓扑性能。我们的研究表明comval是一种非磁性半金属，而CoMnCrSi是一种磁性半金属。在两种合金中都观察到Berry曲率，这导致comval和CoMnCrSi在费米能量下的本禀异常霍尔电导率分别为17 S/cm和50 S/cm。在费米表面观察到扁平带状表面态和节环状结构，表明两种合金均为拓扑节线半金属。

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Electronic and topological properties of quaternary Heusler alloy CoMnVAl and CoMnCrSi: A first-principles study

The electronic, magnetic, and topological properties of quaternary Heusler alloys CoMnVAl and CoMnCrSi have been studied. A combination of density functional theory and tight-binding approximation has been used to investigate the electronic structure and the topological properties of these alloys. Our study shows that CoMnVAl is a non-magnetic semimetal, while CoMnCrSi is a magnetic semimetal. Berry curvature is observed in both alloys, which results in an intrinsic anomalous Hall conductivity of 17 S/cm and 50 S/cm for CoMnVAl and CoMnCrSi, respectively, at the Fermi energy. The flat band-like surface states and nodal ring-like structures are observed in the Fermi surface, which indicates that both alloys are topological nodal line semimetal.

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来源期刊

Journal of Magnetism and Magnetic Materials 物理-材料科学：综合

CiteScore

5.30

自引率

11.10%

发文量

1149

审稿时长

59 days

期刊介绍： The Journal of Magnetism and Magnetic Materials provides an important forum for the disclosure and discussion of original contributions covering the whole spectrum of topics, from basic magnetism to the technology and applications of magnetic materials. The journal encourages greater interaction between the basic and applied sub-disciplines of magnetism with comprehensive review articles, in addition to full-length contributions. In addition, other categories of contributions are welcome, including Critical Focused issues, Current Perspectives and Outreach to the General Public. Main Categories: Full-length articles: Technically original research documents that report results of value to the communities that comprise the journal audience. The link between chemical, structural and microstructural properties on the one hand and magnetic properties on the other hand are encouraged. In addition to general topics covering all areas of magnetism and magnetic materials, the full-length articles also include three sub-sections, focusing on Nanomagnetism, Spintronics and Applications. The sub-section on Nanomagnetism contains articles on magnetic nanoparticles, nanowires, thin films, 2D materials and other nanoscale magnetic materials and their applications. The sub-section on Spintronics contains articles on magnetoresistance, magnetoimpedance, magneto-optical phenomena, Micro-Electro-Mechanical Systems (MEMS), and other topics related to spin current control and magneto-transport phenomena. The sub-section on Applications display papers that focus on applications of magnetic materials. The applications need to show a connection to magnetism. Review articles: Review articles organize, clarify, and summarize existing major works in the areas covered by the Journal and provide comprehensive citations to the full spectrum of relevant literature.