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Exploring strong electronic correlations in the breathing kagome metal Fe3⁢Sn

  • Kagome metals have emerged as pivotal materials in condensed matter physics due to their unique geometric arrangement and intriguing electronic properties. Understanding the origin of magnetism in these materials, particularly in iron-rich Fe-Sn binary compounds such as Fe3⁢Sn, holds a significant importance, as they represent potential candidates for permanent magnets with a high Curie temperature and a strong magnetic anisotropy. In the present study, we employ density functional theory and dynamical mean-field theory to analyze the electronic structure and magnetic properties of Fe3⁢Sn. Our investigation reveals the presence of several nearly flat bands and Weyl nodes at low excitation energies. The inclusion of local correlation effects is shown to push these features even closer to the Fermi energy, which may be important for their manipulation via external stimuli. Regarding magnetism, the Hubbard-like interaction leads to an increase of orbital polarization at the expenses of aKagome metals have emerged as pivotal materials in condensed matter physics due to their unique geometric arrangement and intriguing electronic properties. Understanding the origin of magnetism in these materials, particularly in iron-rich Fe-Sn binary compounds such as Fe3⁢Sn, holds a significant importance, as they represent potential candidates for permanent magnets with a high Curie temperature and a strong magnetic anisotropy. In the present study, we employ density functional theory and dynamical mean-field theory to analyze the electronic structure and magnetic properties of Fe3⁢Sn. Our investigation reveals the presence of several nearly flat bands and Weyl nodes at low excitation energies. The inclusion of local correlation effects is shown to push these features even closer to the Fermi energy, which may be important for their manipulation via external stimuli. Regarding magnetism, the Hubbard-like interaction leads to an increase of orbital polarization at the expenses of a minor reduction of the spin moment. The magnetic anisotropy energy exhibits a strong dependence on the particular choice of the Coulomb interaction parameters. Additionally, our detailed analysis of the interatomic exchange interactions indicates a significant contribution from the antisymmetric exchange, i.e., the Dzyaloshinskii-Moriya interaction, which showcases the existence of magnetic chirality in the system. Overall, our investigation highlights a strong interplay between the flat bands near the Fermi level, the local Coulomb interaction, and the triangular geometry of the lattice, which plays a crucial role in driving the magnetic properties of this material.show moreshow less

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Metadaten
Author:Shivalika Sharma, Liviu ChioncelORCiDGND, Igor Di Marco
URN:urn:nbn:de:bvb:384-opus4-1234381
Frontdoor URLhttps://opus.bibliothek.uni-augsburg.de/opus4/123438
ISSN:2469-9950OPAC
ISSN:2469-9969OPAC
Parent Title (English):Physical Review B
Publisher:American Physical Society (APS)
Type:Article
Language:English
Year of first Publication:2025
Publishing Institution:Universität Augsburg
Release Date:2025/07/10
Volume:111
Issue:23
First Page:235127
DOI:https://doi.org/10.1103/xmmr-mfv4
Institutes:Mathematisch-Naturwissenschaftlich-Technische Fakultät
Fakultätsübergreifende Institute und Einrichtungen
Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik
Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik / Lehrstuhl für Theoretische Physik III
Fakultätsübergreifende Institute und Einrichtungen / Kompetenzzentrum für Innovative Technologien - Augsburg Centre for Innovative Technologies (ACIT)
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik
Licence (German):CC-BY 4.0: Creative Commons: Namensnennung (mit Print on Demand)