Spectroscopic and computational analysis reveals Ti band hybridization and induced magnetism in RTi3Bi4 kagome metals, highlighting mechanisms underlying anomalous Hall transport.
Kagome materials are known for hosting emergent quantum phenomena driven by the interaction between different lattice, charge and spin orders. Here, we present a detailed angle resolved photoemission (ARPES), density functional theory (DFT) and x-ray magnetic circular dichroism (XMCD) study of the electronic and magnetic structure of RTi₃Bi₄ (R = Nd, Sm, Gd). ARPES and DFT demonstrate that the bulk electronic band structure is dominated by the hybridization of the Ti bands, and the weak electron-like pocket at $Γ$ is identified as a surface state. The isotropic XAS profile of the M4,5-edge of the rare earth is consistent with the presence of R³⁺ oxidation state. Using the XMCD sum rules, backed by the atomic multiplet theory calculations, we obtain the spin and orbital magnetic moments. The Ti L2,3-edge XMCD reveals the presence of a small magnetic moment in GdTi₃Bi₄, presumably driven by the proximity of the {Ti} kagome layers to the $zigzag$ chains of Gd, while the total magnetic moment of Gd is shared by the f and d electrons. Our combined XMCD, ARPES and DFT study brings an important piece of information to understand the spin flip transitions and anomalous Hall effect observed in the RTi₃Bi₄ kagome metals.
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Lim et al. (2026) studied this question.
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