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| Main Authors: | , |
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| Format: | Preprint |
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2023
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| Online Access: | https://arxiv.org/abs/2310.04339 |
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| _version_ | 1866911755130634240 |
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| author | Singh, Sobhit Garcia-Castro, A. C. |
| author_facet | Singh, Sobhit Garcia-Castro, A. C. |
| contents | Kagome metals are reported to exhibit remarkable properties, including superconductivity, charge density wave order, and a large anomalous Hall conductivity, which facilitate the implementation of spintronic devices. In this work, we study a novel kagome metal based on Mn magnetic sites in a KMn$_3$Sb$_5$ stoichiometry. By means of first-principles density functional theory calculations, we demonstrate that the studied compound is dynamically stable, locking the ferromagnetic order as the ground state configuration, thus preventing the charge-density-wave state as reported in its vanadium-based counterpart KV$_3$Sb$_5$. Our calculations predict that KMn$_3$Sb$_5$ exhibits an out-of-plane (001) ferromagnetic response as the ground state, allowing for the emergence of topologically protected Weyl nodes near the Fermi level and nonzero anomalous Hall conductivity ($σ_{ij}$) in this centrosymmetric system. We obtain a tangible $σ_{xy} = 314$ S$\cdot$cm$^{-1}$ component, which is comparable to that of other kagome metals. Finally, we explore the effect of the on-site Coulomb repulsion ($+U$) on the structural and electronic properties and find that, although the lattice parameters and $σ_{xy}$ moderately vary with increasing $+U$, KMn$_3$Sb$_5$ stands as an ideal stable ferromagnetic kagome metal with a large anomalous Hall conductivity response. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2310_04339 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Kagome KMn$_3$Sb$_5$ metal: Magnetism, lattice dynamics, and anomalous Hall conductivity Singh, Sobhit Garcia-Castro, A. C. Strongly Correlated Electrons Kagome metals are reported to exhibit remarkable properties, including superconductivity, charge density wave order, and a large anomalous Hall conductivity, which facilitate the implementation of spintronic devices. In this work, we study a novel kagome metal based on Mn magnetic sites in a KMn$_3$Sb$_5$ stoichiometry. By means of first-principles density functional theory calculations, we demonstrate that the studied compound is dynamically stable, locking the ferromagnetic order as the ground state configuration, thus preventing the charge-density-wave state as reported in its vanadium-based counterpart KV$_3$Sb$_5$. Our calculations predict that KMn$_3$Sb$_5$ exhibits an out-of-plane (001) ferromagnetic response as the ground state, allowing for the emergence of topologically protected Weyl nodes near the Fermi level and nonzero anomalous Hall conductivity ($σ_{ij}$) in this centrosymmetric system. We obtain a tangible $σ_{xy} = 314$ S$\cdot$cm$^{-1}$ component, which is comparable to that of other kagome metals. Finally, we explore the effect of the on-site Coulomb repulsion ($+U$) on the structural and electronic properties and find that, although the lattice parameters and $σ_{xy}$ moderately vary with increasing $+U$, KMn$_3$Sb$_5$ stands as an ideal stable ferromagnetic kagome metal with a large anomalous Hall conductivity response. |
| title | Kagome KMn$_3$Sb$_5$ metal: Magnetism, lattice dynamics, and anomalous Hall conductivity |
| topic | Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2310.04339 |