How correlations change the magnetic structure factor of the kagome Hubbard model

Abstract

The kagome Hubbard model (KHM) is a paradigmatic example of a frustrated two-dimensional model. While its strongly correlated regime, described by a Heisenberg model, is of topical interest due to its enigmatic prospective spin-liquid ground state, the weakly and moderately correlated regimes remain largely unexplored. Motivated by the rapidly growing number of metallic kagome materials (e.g., Mn${}_3$Sn, Fe${}_3$Sn${}_2$, FeSn, Co${}_3$Sn${}_2$S${}_2$, Gd${}_3$Ru${}_4$Al${}_{12}$), we study the respective regimes of the KHM by means of three complementary numerical methods: the dynamical mean-field theory (DMFT), the dynamical vertex approximation (D$\Gamma$A), and determinant quantum Monte Carlo (DQMC). In contrast to the archetypal square-lattice, we find no tendencies towards magnetic ordering, as magnetic correlations remain short-range. Nevertheless, the magnetic correlations undergo a remarkable crossover as the system approaches the metal-to-insulator transition. The Mott transition itself does however not affect the magnetic correlations. Our equal-time and dynamical structure factors can be used as a reference for inelastic neutron scattering experiments on the growing family of metallic kagome materials.

18 pages, 14 figures

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• The Hubbard model: A computational perspective
• Optical detection of charge-density-wave instability in the non-magnetic kagome metal KV${}_3$Sb${}_5$
• Charge order in the kagome lattice Holstein model: A hybrid Monte Carlo study
• Doping-dependent charge- and spin-density wave orderings in a monolayer of Pb adatoms on Si(111)
• Thermodynamic, magnetic and transport properties of the repulsive Hubbard model on the kagome lattice
• Hubbard model on the kagome lattice with time-reversal invariant flux and spin-orbit coupling
• Unconventional ferromagnetism and spin-triplet superconductivity in the imbalanced Kagome-lattice Hubbard model
• Charge-density waves in kagome-lattice extended Hubbard models at the van Hove filling