Kagome KMn${}_3$Sb${}_5$ metal: Magnetism, lattice dynamics, and anomalous Hall conductivity

Abstract

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 (${\sigma }_{ij}$) in this centrosymmetric system. We obtain a tangible ${\sigma }_{xy}=314$ 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 ${\sigma }_{xy}$ moderately vary with increasing $+U$, KMn${}_3$Sb${}_5$ stands as an ideal stable ferromagnetic kagome metal with a large anomalous Hall conductivity response.

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