- Open Access
Type-I and type-II saddle points and a quasiflat band in a Bi-pyrochlore superconductor
Phys. Rev. Research 8, 033253 – Published 3 September, 2026
DOI: https://doi.org/10.1103/2ntb-dzck
Abstract
The divergence of the electron density of states (DOS) plays an important role in enhancing many-body interactions and inducing various quantum phases in low-dimensional systems. However, such unique electronic structures remain experimentally elusive in three-dimensional (3D) systems, particularly those with strong spin-orbit coupling (SOC). Using angle-resolved photoemission spectroscopy and first-principles calculations for a Laves-phase superconductor , which features a Bi-pyrochlore 3D network with strong SOC, we identify two characteristic electronic structures with a large DOS. One is a quasiflat band within a topologically nontrivial band sector with -orbital character, locally formed around the U-K line, which enhances DOS near the Fermi level. The other involves type-I and type-II saddle points connected by a quasiflat band, which cooperatively produce an enhancement in the DOS. Our findings lay a foundation for exploring exotic phenomena driven by the interplay of multiple singularities with a large DOS, nontrivial topology, and strong SOC in 3D pyrochlores.
Physics Subject Headings (PhySH)
Article Text
References (83)
- J. W. G. Wilder, L. C. Venema, A. G. Rinzler, R. E. Smalley, and C. Dekker, Electronic structure of atomically resolved carbon nanotubes, Nature (London) 391, 59 (1998).
- T. W. Odom, J.-L. Huang, P. Kim, and C. M. Lieber, Atomic structure and electronic properties of single-walled carbon nanotubes, Nature (London) 391, 62 (1998).
- L. Van Hove, The occurrence of singularities in the elastic frequency distribution of a crystal, Phys. Rev. 89, 1189 (1953).
- D. S. Dessau, Z.-X. Shen, D. M. King, D. S. Marshall, L. W. Lombardo, P. H. Dickinson, A. G. Loeser, J. DiCarlo, C.-H. Park, A. Kapitulnik, and W. E. Spicer, Key features in the measured band structure of : Flat bands at and Fermi surface nesting, Phys. Rev. Lett. 71, 2781 (1993).
- K. Gofron, J. C. Campuzano, A. A. Abrikosov, M. Lindroos, A. Bansil, H. Ding, D. Koelling, and B. Dabrowski, Observation of an “extended” van Hove singularity in by ultrahigh energy resolution angle-resolved photoemission, Phys. Rev. Lett. 73, 3302 (1994).
- S. V. Borisenko, V. B. Zabolotnyy, D. V. Evtushinsky, T. K. Kim, I. V. Morozov, A. N. Yaresko, A. A. Kordyuk, G. Behr, A. Vasiliev, R. Follath, and B. Büchner, Superconductivity without nesting in LiFeAs, Phys. Rev. Lett. 105, 067002 (2010).
- A. Tamai, M. P. Allan, J. F. Mercure, W. Meevasana, R. Dunkel, D. H. Lu, R. S. Perry, A. P. Mackenzie, D. J. Singh, Z.-X. Shen, and F. Baumberger, Fermi surface and van Hove singularities in the itinerant metamagnet , Phys. Rev. Lett. 101, 026407 (2008).
- M. Kang, S. Fang, J.-K. Kim, B. R. Ortiz, S. H. Ryu, J. Kim, J. Yoo, G. Sangiovanni, D. D. Sante, B.-G. Park, C. Jozwiak, A. Bostwick, E. Rotenberg, E. Kaxiras, S. D. Wilson, J.-H. Park, and R. Comin, Twofold van Hove singularity and origin of charge order in topological kagome superconductor , Nat. Phys. 18, 301 (2022).
- Y. Hu, X. Wu, B. R. Ortiz, S. Ju, X. Han, J. Ma, N. C. Plumb, M. Radovic, R. Thomale, S. D. Wilson, A. P. Schnyder, and M. Shi, Rich nature of van Hove singularities in kagome superconductor , Nat. Commun. 13, 2220 (2022).
- Y. He, S.-D. Chen, Z.-X. Li, D. Zhao, D. Song, Y. Yoshida, H. Eisaki, T. Wu, X.-H. Chen, D.-H. Lu, C. Meingast, T. P. Devereaux, R. J. Birgeneau, M. Hashimoto, D.-H. Lee, and Z.-X. Shen, Superconducting fluctuations in overdoped , Phys. Rev. X 11, 031068 (2021).
- D. Fang, X. Shi, Z. Du, P. Richard, H. Yang, X. X. Wu, P. Zhang, T. Qian, X. Ding, Z. Wang, T. K. Kim, M. Hoesch, A. Wang, X. Chen, J. Hu, H. Ding, and H.-H. Wen, Observation of a van Hove singularity and implication for strong-coupling induced Cooper pairing in , Phys. Rev. B 92, 144513 (2015).
- G. N. Phan, K. Nakayama, K. Sugawara, T. Sato, T. Urata, Y. Tanabe, K. Tanigaki, F. Nabeshima, Y. Imai, A. Maeda, and T. Takahashi, Effects of strain on the electronic structure, superconductivity, and nematicity in FeSe studied by angle-resolved photoemission spectroscopy, Phys. Rev. B 95, 224507 (2017).
- V. Sunko, E. A. Morales, I. Marković, M. E. Barber, D. Milosavljević, F. Mazzola, D. A. Sokolov, N. Kikugawa, C. Cacho, P. Dudin, H. Rosner, C. W. Hicks, P. D. C. King, and A. P. Mackenzie, Direct observation of a uniaxial stress-driven Lifshitz transition in , npj Quantum Mater. 4, 46 (2019).
- M. E. Barber, A. S. Gibbs, Y. Maeno, A. P. Mackenzie, and C. W. Hicks, Resistivity in the vicinity of a van Hove singularity: under uniaxial pressure, Phys. Rev. Lett. 120, 076602 (2018).
- Y.-X. Jiang, J.-X. Yin, M. M. Denner, N. Shumiya, B. R. Ortiz, G. Xu, Z. Guguchia, J. He, M. S. Hossain, X. Liu, et al., Unconventional chiral charge order in kagome superconductor , Nat. Mater. 20, 1353 (2021).
- X. Zhou, Y. Li, X. Fan, J. Hao, Y. Dai, Z. Wang, Y. Yao, and H.-H. Wen, Origin of charge density wave in the kagome metal as revealed by optical spectroscopy, Phys. Rev. B 104, L041101 (2021).
- K. Nakayama, Y. Li, T. Kato, M. Liu, Z. Wang, T. Takahashi, Y. Yao, and T. Sato, Multiple energy scales and anisotropic energy gap in the charge-density-wave phase of the kagome superconductor , Phys. Rev. B 104, L161112 (2021).
- Y. Luo, Y. Han, J. Liu, H. Chen, Z. Huang, L. Huai, H. Li, B. Wang, J. Shen, S. Ding, et al., A unique van Hove singularity in kagome superconductor with enhanced superconductivity, Nat. Commun. 14, 3819 (2023).
- X. Teng, J. S. Oh, H. Tan, L. Chen, J. Huang, B. Gao, J.-X. Yin, J.-H. Chu, M. Hashimoto, D. Lu, C. Jozwiak, A. Bostwick, E. Rotenberg, G. E. Granroth, B. Yan, R. J. Birgeneau, P. Dai, and M. Yi, Magnetism and charge density wave order in kagome FeGe, Nat. Phys. 19, 814 (2023).
- A. Mielke, Ferromagnetic ground states for the Hubbard model on line graphs, J. Phys. A: Math. Gen. 24, L73 (1991); Ferromagnetism in the Hubbard model on line graphs and further considerations, 24, 3311 (1991); Exact ground states for the Hubbard model on the kagome lattice, J. Phys. A 25, 4335 (1992).
- H. Tasaki, Ferromagnetism in the Hubbard models with degenerate single-electron ground states, Phys. Rev. Lett. 69, 1608 (1992).
- A. Mielke and H. Tasaki, Ferromagnetism in the Hubbard model, Commun. Math. Phys. 158, 341 (1993).
- N. Regnault, Y. Xu, M.-R. Li, D.-S. Ma, M. Jovanovic, A. Yazdani, S. S. P. Parkin, C. Felser, L. M. Schoop, N. P. Ong, R. J. Cava, L. Elcoro, Z.-D. Song, and B. A. Bernevig, Catalogue of flat-band stoichiometric materials, Nature (London) 603, 824 (2022).
- D. Călugăru, A. Chew, L. Elcoro, Y. Xu, N. Regnault, Z.-D. Song, and B. A. Bernevig, General construction and topological classification of crystalline flat bands, Nat. Phys. 18, 185 (2022).
- Y. Cao, V. Fatemi, A. Demir, S. Fang, S. L. Tomarken, J. Y. Luo, J. D. Sanchez-Yamagishi, K. Watanabe, T. Taniguchi, E. Kaxiras, R. C. Ashoori, and P. Jarillo-Herrero, Correlated insulator behaviour at half-filling in magic-angle graphene superlattices, Nature (London) 556, 80 (2018).
- Y. Cao, V. Fatemi, S. Fang, K. Watanabe, T. Taniguchi, E. Kaxiras, and P. Jarillo-Herrero, Unconventional superconductivity in magic-angle graphene superlattices, Nature (London) 556, 43 (2018).
- M. I. B. Utama, R. J. Koch, K. Lee, N. Leconte, H. Li, S. Zhao, L. Jiang, J. Zhu, K. Watanabe, T. Taniguchi, P. D. Ashby, A. Weber-Bargioni, A. Zettl, C. Jozwiak, J. Jung, E. Rotenberg, A. Bostwick, and F. Wang, Visualization of the flat electronic band in twisted bilayer graphene near the magic angle twist, Nat. Phys. 17, 184 (2021).
- S. Lisi, X. Lu, T. Benschop, T. A. de Jong, P. Stepanov, J. R. Duran, F. Margot, I. Cucchi, E. Cappelli, A. Hunter, et al., Observation of flat bands in twisted bilayer graphene, Nat. Phys. 17, 189 (2021).
- Z. Lin, J.-H. Choi, Q. Zhang, W. Qin, S. Yi, P. Wang, L. Li, Y. Wang, H. Zhang, Z. Sun, L. Wei, S. Zhang, T. Guo, Q. Lu, J.-H. Cho, C. Zeng, and Z. Zhang, Flatbands and emergent ferromagnetic ordering in kagome lattices, Phys. Rev. Lett. 121, 096401 (2018).
- M. Kang, L. Ye, S. Fang, J.-S. You, A. Levitan, M. Han, J. I. Facio, C. Jozwiak, A. Bostwick, E. Rotenberg, et al., Dirac fermions and flat bands in the ideal kagome metal FeSn, Nat. Mater. 19, 163 (2020).
- Z. Liu, M. Li, Qi Wang, G. Wang, C. Wen, K. Jiang, X. Lu, S. Yan, Y. Huang, D. Shen, J.-X. Yin, Z. Wang, Z. Yin, H. Lei, and S. Wang, Orbital-selective Dirac fermions and extremely flat bands in frustrated kagome-lattice metal CoSn, Nat. Commun. 11, 4002 (2020).
- A. L. Sharpe, E. J. Fox, A. W. Barnard, J. Finney, K. Watanabe, T. Taniguchi, M. A. Kastner, and D. Goldhaber-Gordon, Emergent ferromagnetism near three-quarters filling in twisted bilayer graphene, Science 365, 605 (2019).
- Y. Jiang, X. Lai, K. Watanabe, T. Taniguchi, K. Haule, J. Mao, and E. Y. Andrei, Charge order and broken rotational symmetry in magic-angle twisted bilayer graphene, Nature (London) 573, 91 (2019).
- Y. Cao, D. Chowdhury, D. Rodan-Legrain, O. Rubies-Bigorda, K. Watanabe, T. Taniguchi, T. Senthil, and P. Jarillo-Herrero, Strange metal in magic-angle graphene with near Planckian dissipation, Phys. Rev. Lett. 124, 076801 (2020).
- Y. Choi, H. Kim, Y. Peng, A. Thomson, C. Lewandowski, R. Polski, Y. Zhang, H. S. Arora, K. Watanabe, T. Taniguchi, J. Alicea, and S. Nadj-Perge, Correlation-driven topological phases in magic-angle twisted bilayer graphene, Nature (London) 589, 536 (2021).
- Y. Cao, D. Rodan-Legrain, J. M. Park, N. F. Q. Yuan, K. Watanabe, T. Taniguchi, R. M. Fernandes, L. Fu, and P. Jarillo-Herrero, Nematicity and competing orders in superconducting magic-angle graphene, Science 372, 264 (2021).
- S. Gao, S. Zhang, C. Wang, S. Yan, X. Han, X. Ji, W. Tao, J. Liu, T. Wang, S. Yuan, et al., Discovery of a single-band Mott insulator in a van der Waals flat-band compound, Phys. Rev. X 13, 041049 (2023).
- L. Ye, S. Fang, M. Kang, J. Kaufmann, Y. Lee, C. John, P. M. Neves, S. Y. Frank Zhao, J. Denlinger, C. Jozwiak, A. Bostwick, E. Rotenberg, E. Kaxiras, D. C. Bell, O. Janson, R. Comin, and J. G. Checkelsky, Hopping frustration-induced flat band and strange metallicity in a kagome metal, Nat. Phys. 20, 610 (2024).
- D. L. Bergman, C. Wu, and L. Balents, Band touching from real-space topology in frustrated hopping models, Phys. Rev. B 78, 125104 (2008).
- H.-M. Guo and M. Franz, Three-dimensional topological insulators on the pyrochlore lattice, Phys. Rev. Lett. 103, 206805 (2009).
- J. P. Wakefield, M. Kang, P. M. Neves, D. Oh, S. Fang, R. McTigue, S. Y. Frank Zhao, T. N. Lamichhane, A. Chen, S. Lee, et al., Three-dimensional flat bands in pyrochlore metal , Nature (London) 623, 301 (2023).
- J. Huang, L. Chen, Y. Huang, C. Setty, B. Gao, Y. Shi, Z. Liu, Y. Zhang, T. Yilmaz, E. Vescovo, M. Hashimoto, D. Lu, B. I. Yakobson, P. Dai, J.-H. Chu, Q. Si, and M. Yi, Non-Fermi liquid behaviour in a correlated flat-band pyrochlore lattice, Nat. Phys. 20, 603 (2024).
- J. Huang, C. Setty, L. Deng, J.-Y. You, H. Liu, S. Shao, J. S. Oh, Y. Guo, Y. Zhang, Z. Yue, et al., Observation of flat bands and Dirac cones in a pyrochlore lattice superconductor, npj Quantum Mater, 9, 71 (2024).
- D. Pesin and L. Balents, Mott physics and band topology in materials with strong spin–orbit interaction, Nat. Phys. 6, 376 (2010).
- C. Weeks and M. Franz, Flat bands with nontrivial topology in three dimensions, Phys. Rev. B 85, 041104(R) (2012).
- J. Maciejko and G. A. Fiete, Fractionalized topological insulators, Nat. Phys. 11, 385 (2015).
- Y. Zhou, K.-H. Jin, H. Huang, Z. Wang, and F. Liu, Weyl points created by a three-dimensional flat band, Phys. Rev. B 99, 201105 ( R) (2019).
- Z. Y. Meng, F. Yang, K.-S. Chen, H. Yao, and H.-Y. Kee, Evidence for spin-triplet odd-parity superconductivity close to type-II van Hove singularities, Phys. Rev. B 91, 184509 (2015).
- H. Yao and F. Yang, Topological odd-parity superconductivity at type-II two-dimensional van Hove singularities, Phys. Rev. B 92, 035132 (2015).
- G. Kresse and J. Hafner, Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium, Phys. Rev. B 49, 14251 (1994).
- G. Kresse and J. Furthmüller, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B 54, 11169 (1996).
- P. E. Blöchl, Projector augmented-wave method, Phys. Rev. B 50, 17953 (1994).
- J. P. Perdew, K. Burke, and M. Ernzerhof, Generalized gradient approximation made simple, Phys. Rev. Lett. 77, 3865 (1996); 78, 1396(E) (1997).
- J. P. Perdew, K. Burke, and M. Ernzerhof, Perdew, Burke, and Ernzerhof reply, Phys. Rev. Lett. 80, 891 (1998).
- M. Ernzerhof and G. E. Scuseria, Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional, J. Chem. Phys. 110, 5029 (1999).
- Q. Wu, S. Zhang, H.-F. Song, M. Troyer, and A. A. Soluyanov, WannierTools: An open-source software package for novel topological materials, Comput. Phys. Commun. 224, 405 (2018).
- M. Kitamura, S. Souma, A. Honma, D. Wakabayashi, H. Tanaka, A. Toyoshima, K. Amemiya, T. Kawakami, K. Sugawara, K. Nakayama, K. Yoshimatsu, H. Kumigashira, T. Sato, and K. Horiba, Development of a versatile micro-focused angle-resolved photoemission spectroscopy system with Kirkpatrick–Baez mirror optics, Rev. Sci. Instrum. 93, 033906 (2022).
- S. S. Philip, S. Liu, J. C. Y. Teo, P. V. Balachandran, and D. Louca, Exploring the Dirac nature of , Phys. Rev. B 107, 035143 (2023).
- S. Gutowska, B. Wiendlocha, T. Klimczuk, and M. Winiarski, Superconductivity in bismuth pyrochlore lattice compounds and : The role of relativistic effects, J. Phys. Chem. C 127, 14402 (2023).
- S. Sun, K. Liu, and H. Lei, Type-I superconductivity in single crystals, J. Phys.: Condens. Matter 28, 085701 (2016).
- S. S. Philip, J. Yang, D. Louca, P. F. S. Rosa, J. D. Thompson, and K. L. Page, Bismuth kagome sublattice distortions by quenching and flux pinning in superconducting , Phys. Rev. B 104, 104503 (2021).
- H. Li, M. Ikeda, A. Suzuki, T. Taguchi, Y. Zhang, H. Goto, R. Eguchi, Y.-F. Liao, H. Ishii, and Y. Kubozono, Pressure dependence of superconductivity in alkali-Bi compounds and , Phys. Chem. Chem. Phys. 24, 7185 (2022).
- Z. Zhang, Z.-M. Yu, G.-B. Liu, and Y. Yao, MagneticTB: A package for tight-binding model of magnetic and non-magnetic materials, Comput. Phys. Commun. 270, 108153 (2022).
- D. Oh, J. Kang, Y. Qian, S. Fang, M. Kang, C. Jozwiak, A. Bostwick, E. Rotenberg, J. G. Checkelsky, L. Fu, T. Klimczuk, M. J. Winiarski, B.-J. Yang, and R. Comin, Nodal fermions in the strongly spin-orbit coupled pyrochlore-lattice compound , Phys. Rev. B 110, 205102 (2024).
- L. Fu and C. L. Kane, Topological insulators with inversion symmetry, Phys. Rev. B 76, 045302 (2007).
- L. Fu, C. L. Kane, and E. J. Mele, Topological insulators in three dimensions, Phys. Rev. Lett. 98, 106803 (2007).
- L. Fu, Topological crystalline insulators, Phys. Rev. Lett. 106, 106802 (2011).
- W. Song, G. Liu, H. Deng, T. Yang, Y. Li, X.-Y. Yan, R. Liao, Q. Wang, J. Xu, C. Yan, et al., Many-body electronic structure in the pyrochlore superconductor and spin-liquid candidate , Phys. Rev. B 112, 245131 (2025).
- H.-Y. Li, H. Tan, H.-Y. Zhu, H.-K. Yuan, and M.-Q. Kuang, Directional criticality and higher-order flatness: Designing van Hove singularities in three dimensions, arXiv:2604.07806.
- Y. Zheng, L. Li, N. Luo, L.-M. Tang, Y. Feng, K.-Q. Chen, Z. Zhang, and J. Zeng, Orbital-designed flat-band model and realization of superconductivity in three-dimensional materials, Phys. Rev. B 109, L180504 (2024).
- K. Momma and F. Izumi, VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data, J. Appl. Cryst. 44, 1272 (2011).
- J. Gao, Q. Wu, C. Persson, and Z. Wang, Irvsp: To obtain irreducible representations of electronic states in the vasp, Comput. Phys. Commun. 261, 107760 (2021).
- M. I. Aroyo, A. Kirov, C. Capillas, J. Perez-Mato, and H. Wondratschek, Bilbao Crystallographic Server. II. Representations of crystallographic point groups and space groups, Acta Crystallogr. Sect. A: Found. Crystallogr. 62, 115 (2006).
- Z.-M. Yu, Z. Zhang, G.-B. Liu, W. Wu, X.-P. Li, R.-W. Zhang, S. A. Yang, and Y. Yao, Encyclopedia of emergent particles in three-dimensional crystals, Sci. Bull. 67, 375 (2022).
- L. Elcoro, B. Bradlyn, Z. Wang, M. G. Vergniory, J. Cano, C. Felser, B. A. Bernevig, D. Orobengoa, G. Flor, and M. I. Aroyo, Double crystallographic groups and their representations on the Bilbao Crystallographic Server, J. Appl. Cryst. 50, 1457 (2017).
- B. Bradlyn, L. Elcoro, J. Cano, M. G. Vergniory, Z. Wang, C. Felser, M. I. Aroyo, and B. A. Bernevig, Topological quantum chemistry, Nature (London) 547, 298 (2017).
- M. G. Vergniory, L. Elcoro, Z. Wang, J. Cano, C. Felser, M. I. Aroyo, B. A. Bernevig, and B. Bradlyn, Graph theory data for topological quantum chemistry, Phys. Rev. E 96, 023310 (2017).
- J. Cano, B. Bradlyn, Z. Wang, L. Elcoro, M. G. Vergniory, C. Felser, M. I. Aroyo, and B. A. Bernevig, Building blocks of topological quantum chemistry: Elementary band representations, Phys. Rev. B 97, 035139 (2018).
- H. C. Po, H. Watanabe, and A. Vishwanath, Fragile topology and Wannier obstructions, Phys. Rev. Lett. 121, 126402 (2018).
- D.-S. Ma, Y. Xu, C. S. Chiu, N. Regnault, A. A. Houck, Z. Song, and B. A. Bernevig, Spin-orbit-induced topological flat bands in line and split graphs of bipartite lattices, Phys. Rev. Lett. 125, 266403 (2020).
- K. Kuroki, T. Higashida, and R. Arita, High- superconductivity due to coexisting wide and narrow bands: A fluctuation exchange study of the Hubbard ladder as a test case, Phys. Rev. B 72, 212509 (2005).
- K. Matsumoto, D. Ogura, and K. Kuroki, Wide applicability of high- pairing originating from coexisting wide and incipient narrow bands in quasi-one-dimensional systems, Phys. Rev. B 97, 014516 (2018).
- H. Aoki, Theoretical possibilities for flat band superconductivity, J. Supercond. Nov. Magn. 33, 2341 (2020).