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| Main Authors: | , , , , , |
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| Format: | Preprint |
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2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2508.00655 |
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| _version_ | 1866916875616649216 |
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| author | Gurung, D. Shrestha, Keshav Bhandari, Shalika R. Brahimi, Samy Lounis, Samir Rai, D. P. |
| author_facet | Gurung, D. Shrestha, Keshav Bhandari, Shalika R. Brahimi, Samy Lounis, Samir Rai, D. P. |
| contents | 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. The inclusion of spin-orbit coupling SOC induces the splitting of Yb-4f states, while its impact on the V-3d states is moderate. Furthermore, we have incorporated SOC+U, where U being the Hubbard parameter, which drastically changes the Yb-4f states creating additional splitting leading to three distinct peaks in the density of states (DOS). The V-3d atoms with the Kagome lattice contribute maximum to the transport properties, exhibits flat bands near the EF while being protected under SOC and U+SOC. Herein, we report the vulnerability of the Yb-4f states under SOC and U+SOC. Furthurmore, The Fermi surface is found to comprise of quasi-2D cylindrical sheets centered at the Gamma-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 increase with tilt angle, exhibiting a nearly parabolic trend as expected for cylindrical orbits, while a low-frequency branch remains below 1 kT. 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 ($r_0 = 1$). 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2508_00655 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Electronic properties of Kagome metal YbV$_3$Sb$_4$: A First-Principles Study Gurung, D. Shrestha, Keshav Bhandari, Shalika R. Brahimi, Samy Lounis, Samir Rai, D. P. Strongly Correlated Electrons 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. The inclusion of spin-orbit coupling SOC induces the splitting of Yb-4f states, while its impact on the V-3d states is moderate. Furthermore, we have incorporated SOC+U, where U being the Hubbard parameter, which drastically changes the Yb-4f states creating additional splitting leading to three distinct peaks in the density of states (DOS). The V-3d atoms with the Kagome lattice contribute maximum to the transport properties, exhibits flat bands near the EF while being protected under SOC and U+SOC. Herein, we report the vulnerability of the Yb-4f states under SOC and U+SOC. Furthurmore, The Fermi surface is found to comprise of quasi-2D cylindrical sheets centered at the Gamma-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 increase with tilt angle, exhibiting a nearly parabolic trend as expected for cylindrical orbits, while a low-frequency branch remains below 1 kT. 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 ($r_0 = 1$). 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. |
| title | Electronic properties of Kagome metal YbV$_3$Sb$_4$: A First-Principles Study |
| topic | Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2508.00655 |