We have investigated the vanadium-based Kagome metal YbV 3 Sb 4 using density functional theory (DFT) combined with the Wannier function analysis. We explore the electronic properties, de Haas-van Alphen (dHvA) effect, and Fermi surface. Our calculations reveal the metallic characteristic in which the majority of the states around the Fermi energy E F is contributed by the V- 3 d orbitals, while the localized Yb- 4 f states are positioned below it. The inclusion of spin-orbit coupling (SOC) induces the splitting of Yb- 4 f states, while its impact on the V- 3 d states is moderate. Furthermore, we have incorporated U + SOC , where the Hubbard parameter, which drastically changes the Yb- 4 f states, creates additional splitting, leading to three distinct peaks in the density of states (DOS). Meanwhile, the V- 3 d atoms with the Kagome lattice contribute the maximum to the transport properties, exhibit flat bands near the E F , while being protected under SOC and U + SOC . Herein, we report the vulnerability of the Yb- 4 f states under SOC and U + SOC . Furthermore, the Fermi surface is found to comprise quasi-2D cylindrical sheets centered at the Γ point, along with smaller pockets near the Brillouin zone boundaries, which, under combined U + SOC , a small spherical pocket emerges, and the cylindrical sheet exhibits slight deformations. The dHvA frequencies reach as high as 70 kilotesla, which increases with tilt angle, exhibiting a nearly parabolic trend as expected for cylindrical orbits, while a low-frequency branch remains below 1 kilotesla. Only the U + SOC case shows noticeable modification in both the Fermi surface and the dHvA oscillation. Crucially, the Z 2 invariant calculation identifies YbV 3 Sb 4 as a strong topological metal ( ν 0 = 1 ). These findings not only advance our understanding of the underlying quantum phenomena in rare-earth Kagome systems, but also establish YbV 3 Sb 4 as a compelling and promising platform for exploring intertwined topology and electron correlations in Kagome lattices, thereby offering valuable insights for engineering quantum phases in layered materials.
Gurung et al. (Mon,) studied this question.