- Open Access
Van Hove Singularities, Superconductivity, and the Josephson Diode Effect in and
Phys. Rev. Lett. 136, 086401 – Published 25 February, 2026
DOI: https://doi.org/10.1103/hp1t-zd7y
Abstract
Superconductivity in the transition-metal dichalcogenide has been attributed to the proximity of a three-dimensional Van Hove singularity to the Fermi level. In isostructural , recently used as the weak link in a Josephson diode, a similar Van Hove singularity has been predicted to occur, but superconductivity is mysteriously absent. Using bulk-sensitive soft x-ray angle-resolved photoemission spectroscopy, we reveal that this Van Hove singularity lies even closer to the Fermi level in than in . To explain the lack of superconductivity in , we perform ab initio calculations incorporating the Kukkonen Overhauser interaction, showing that an incipient magnetic instability suppresses superconductivity at an unprecedented scale. Finally, we present a tight-binding model that links the Van Hove singularity to a sign change in the Josephson diode effect at small magnetic fields, suggesting a new mechanism for Josephson diodes.
Physics Subject Headings (PhySH)
Article Text
Supplemental Material
References (62)
- B. Pal, A. Chakraborty, P. K. Sivakumar, M. Davydova, A. K. Gopi, A. K. Pandeya, J. A. Krieger, Y. Zhang, M. Date, S. Ju, N. Yuan, N. B. M. Schröter, L. Fu, and S. S. P. Parkin, Josephson diode effect from Cooper pair momentum in a topological semimetal, Nat. Phys. 18, 1228 (2022).
- V. D. Esin, O. O. Shvetsov, A. V. Timonina, N. N. Kolesnikov, and E. V. Deviatov, Interface superconductivity in a Dirac semimetal , Nanomater. Nanotechnol. 12, 4114 (2022).
- B. Ghosh, D. Mondal, C.-N. Kuo, C. S. Lue, J. Nayak, J. Fujii, I. Vobornik, A. Politano, and A. Agarwal, Observation of bulk states and spin-polarized topological surface states in transition metal dichalcogenide Dirac semimetal candidate , Phys. Rev. B 100, 195134 (2019).
- S. Mukherjee, S. W. Jung, S. F. Weber, C. Xu, D. Qian, X. Xu, P. K. Biswas, T. K. Kim, L. C. Chapon, M. D. Watson, J. B. Neaton, and C. Cacho, Fermi-crossing Type-II Dirac fermions and topological surface states in , Sci. Rep. 10, 12957 (2020).
- J. Zhang and G. Q. Huang, The superconductivity and topological surface state of type-II Dirac semimetal , J. Phys. Condens. Matter 32, 205702 (2020).
- C. Xu, B. Li, W. Jiao, W. Zhou, B. Qian, R. Sankar, N. D. Zhigadlo, Y. Qi, D. Qian, F.-C. Chou, and X. Xu, Topological type-II Dirac fermions approaching the Fermi level in a transition metal dichalcogenide , Chem. Mater. 30, 4823 (2018).
- A. Q. Chen, M. J. Park, S. T. Gill, Y. Xiao, D. Reig-i Plessis, G. J. MacDougall, M. J. Gilbert, and N. Mason, Finite momentum Cooper pairing in three-dimensional topological insulator Josephson junctions, Nat. Commun. 9, 3478 (2018).
- See Supplemental Material at http://link.aps.org/supplemental/10.1103/hp1t-zd7y, which includes Refs. [9–33] for which contains additional calculations; technical details on the experimental procedure, data analysis and calculations contained in the main text; and additional ARPES data.
- Z. Feng, J. Si, T. Li, H. Dong, C. Xu, J. Yang, Z. Zhang, K. Wang, H. Wu, Q. Hou, J. J. Xing, S. Wan, S. Li, W. Deng, J. Feng, A. Pal, F. Chen, S. Hu, J. Y. Ge, C. Dong, S. Wang, W. Ren, S. Cao, Y. Liu, X. Xu, J. Zhang, B. Chen, and N. C. Yeh, Evidences for pressure-induced two-phase superconductivity and mixed structures of and NiTe in type-II Dirac semimetal single crystals, Mater. Today Phys. 17, 100339 (2021).
- B. de Lima, R. de Cassia, F. Santos, L. Correa, T. Grant, A. Manesco, G. Martins, L. Eleno, M. Torikachvili, and A. Machado, Properties and superconductivity in Ti-doped single crystals, Solid State Commun. 283, 27 (2018).
- R. Queiroz, G. Landolt, S. Muff, B. Slomski, T. Schmitt, V. N. Strocov, J. Mi, B. B. Iversen, P. Hofmann, J. Osterwalder, A. P. Schnyder, and J. H. Dil, Sputtering-induced reemergence of the topological surface state in , Phys. Rev. B 93, 165409 (2016).
- A. Tkatchenko and M. Scheffler, Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference data, Phys. Rev. Lett. 102, 073005 (2009).
- M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Van der Waals density functional for general geometries, Phys. Rev. Lett. 92, 246401 (2004).
- G. Román-Pérez and J. M. Soler, Efficient implementation of a van der Waals density functional: Application to double-wall carbon nanotubes, Phys. Rev. Lett. 103, 096102 (2009).
- HQGraphene, https://www.hqgraphene.com/.
- MATools ARPES data analysis package, Available from https://drive.switch.ch/index.php/s/jiaxJHX14jFbQ83.
- P. Hohenberg and W. Kohn, Inhomogeneous electron gas, Phys. Rev. 136, B864 (1964).
- W. Kohn and L. J. Sham, Self-consistent equations including exchange and correlation effects, Phys. Rev. 140, A1133 (1965).
- J. P. Perdew, A. Ruzsinszky, G. I. Csonka, O. A. Vydrov, G. E. Scuseria, L. A. Constantin, X. Zhou, and K. Burke, Restoring the density-gradient expansion for exchange in solids and surfaces, Phys. Rev. Lett. 100, 136406 (2008).
- The Elk FP-LAPW Code, http://elk.sourceforge.net/.
- S. Baroni, P. Giannozzi, and A. Testa, Green’s-function approach to linear response in solids, Phys. Rev. Lett. 58, 1861 (1987).
- P. Giannozzi et al., quantum espresso: A modular and open-source software project for quantum simulations of materials, J. Phys. Condens. Matter 21, 395502 (2009).
- P. Giannozzi et al., Advanced capabilities for materials modelling with quantum espresso, J. Phys. Condens. Matter 29, 465901 (2017).
- M. van Setten, M. Giantomassi, E. Bousquet, M. Verstraete, D. Hamann, X. Gonze, and G.-M. Rignanese, The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table, Comput. Phys. Commun. 226, 39 (2018).
- L. N. Oliveira, E. K. U. Gross, and W. Kohn, Density-functional theory for superconductors, Phys. Rev. Lett. 60, 2430 (1988).
- M. Lüders, M. A. L. Marques, N. N. Lathiotakis, A. Floris, G. Profeta, L. Fast, A. Continenza, S. Massidda, and E. K. U. Gross, Ab initio theory of superconductivity. I. Density functional formalism and approximate functionals, Phys. Rev. B 72, 024545 (2005).
- A. Sanna, C. Pellegrini, and E. K. U. Gross, Combining Eliashberg theory with density functional theory for the accurate prediction of superconducting transition temperatures and gap functions, Phys. Rev. Lett. 125, 057001 (2020).
- J. P. Perdew and A. Zunger, Self-interaction correction to density-functional approximations for many-electron systems, Phys. Rev. B 23, 5048 (1981).
- P. B. Allen and B. Mitrović, Theory of Superconducting , Solid State Physics Vol. 37 (Academic Press, New York, 1983), pp. 1–92.
- J. A. Flores-Livas, L. Boeri, A. Sanna, G. Profeta, R. Arita, and M. Eremets, A perspective on conventional high-temperature superconductors at high pressure: Methods and materials, Phys. Rep. 856, 1 (2020).
- A. Sanna, C. Pellegrini, E. Liebhaber, K. Rossnagel, K. J. Franke, and E. K. U. Gross, Real-space anisotropy of the superconducting gap in the charge-density wave material , npj Quantum Mater. 7, 6 (2022).
- R. Lake, G. Klimeck, R. C. Bowen, and D. Jovanovic, Single and multiband modeling of quantum electron transport through layered semiconductor devices, J. Appl. Phys. 81, 7845 (1997).
- Q.-f. Sun, J. Wang, and T.-h. Lin, Control of the supercurrent in a mesoscopic four-terminal Josephson junction, Phys. Rev. B 62, 648 (2000).
- R. Hess, H. F. Legg, D. Loss, and J. Klinovaja, Josephson transistor from the superconducting diode effect in domain wall and skyrmion magnetic racetracks, Phys. Rev. B 108, 174516 (2023).
- M. Nurmamat, S. V. Eremeev, X. Wang, T. Yoshikawa, T. Kono, M. Kakoki, T. Muro, Q. Jiang, Z. Sun, M. Ye, and A. Kimura, Bulk Dirac cone and highly anisotropic electronic structure of , Phys. Rev. B 104, 155133 (2021).
- W. Wu, Z. Shi, M. Ozerov, Y. Du, Y. Wang, X.-S. Ni, X. Meng, X. Jiang, G. Wang, C. Hao, X. Wang, P. Zhang, C. Pan, H. Pan, Z. Sun, R. Yang, Y. Xu, Y. Hou, Z. Yan, C. Zhang, H.-Z. Lu, J. Chu, and X. Yuan, The discovery of three-dimensional Van Hove singularity, Nat. Commun. 15, 2313 (2024).
- K. Kim, S. Kim, J. S. Kim, H. Kim, J.-H. Park, and B. I. Min, Importance of the Van Hove singularity in superconducting , Phys. Rev. B 97, 165102 (2018).
- H. Leng, C. Paulsen, Y. K. Huang, and A. De Visser, Type-I superconductivity in the Dirac semimetal , Phys. Rev. B 96, 220506 (2017).
- Amit and Y. Singh, Heat capacity evidence for conventional superconductivity in the type-II Dirac semimetal , Phys. Rev. B 97, 054515 (2018).
- S. Das, Amit, A. Sirohi, L. Yadav, S. Gayen, Y. Singh, and G. Sheet, Conventional superconductivity in the type-II Dirac semimetal , Phys. Rev. B 97, 014523 (2018).
- 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).
- M. Kang, S. Fang, J.-K. Kim, B. R. Ortiz, S. H. Ryu, J. Kim, J. Yoo, G. Sangiovanni, D. Di 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).
- W. Sano, T. Koretsune, T. Tadano, R. Akashi, and R. Arita, Effect of Van Hove singularities on high- superconductivity in , Phys. Rev. B 93, 094525 (2016).
- Y. Quan and W. E. Pickett, Van Hove singularities and spectral smearing in high-temperature superconducting , Phys. Rev. B 93, 104526 (2016).
- H. Yao and F. Yang, Topological odd-parity superconductivity at type-II two-dimensional van Hove singularities, Phys. Rev. B 92, 035132 (2015).
- T.-T. Gai, P.-J. Guo, H.-C. Yang, Y. Gao, M. Gao, and Z.-Y. Lu, Van Hove singularity induced phonon-mediated superconductivity above 77 K in hole-doped , Phys. Rev. B 105, 224514 (2022).
- R. C. Xiao, P. L. Gong, Q. S. Wu, W. J. Lu, M. J. Wei, J. Y. Li, H. Y. Lv, X. Luo, P. Tong, X. B. Zhu, and Y. P. Sun, Manipulation of type-I and type-II Dirac points in superconductor by external pressure, Phys. Rev. B 96, 075101 (2017).
- V. N. Strocov, X. Wang, M. Shi, M. Kobayashi, J. Krempasky, C. Hess, T. Schmitt, and L. Patthey, Soft-x-ray ARPES facility at the ADRESS beamline of the SLS: Concepts, technical realisation and scientific applications, J. Synchrotron Radiat. 21, 32 (2014).
- V. N. Strocov, T. Schmitt, U. Flechsig, T. Schmidt, A. Imhof, Q. Chen, J. Raabe, R. Betemps, D. Zimoch, J. Krempasky, X. Wang, M. Grioni, A. Piazzalunga, and L. Patthey, High-resolution soft x-ray beamline ADRESS at the Swiss Light Source for resonant inelastic x-ray scattering and angle-resolved photoelectron spectroscopies, J. Synchrotron Radiat. 17, 631 (2010).
- M. A. L. Marques, M. Lüders, N. N. Lathiotakis, G. Profeta, A. Floris, L. Fast, A. Continenza, E. K. U. Gross, and S. Massidda, Ab initio theory of superconductivity. II. Application to elemental metals, Phys. Rev. B 72, 024546 (2005).
- S. Massidda, F. Bernardini, C. Bersier, A. Continenza, P. Cudazzo, A. Floris, H. Glawe, M. Monni, S. Pittalis, G. Profeta, A. Sanna, S. Sharma, and E. K. U. Gross, The role of Coulomb interaction in the superconducting properties of and H under pressure, Supercond. Sci. Technol. 22, 034006 (2009).
- A. Sanna, G. Profeta, A. Floris, A. Marini, E. K. U. Gross, and S. Massidda, Anisotropic gap of superconducting : A first-principles density functional calculation, Phys. Rev. B 75, 020511(R) (2007).
- C. Pellegrini, C. Kukkonen, and S. Antonio, Ab initio calculations of superconducting transition temperatures: When going beyond RPA is essential, Phys. Rev. B 108, 064511 (2023).
- C. Pellegrini and A. Sanna, Ab initio methods for superconductivity, Nat. Rev. Phys. 6, 509 (2024).
- C. A. Kukkonen and A. W. Overhauser, Electron-electron interaction in simple metals, Phys. Rev. B 20, 550 (1979).
- G. Vignale and K. S. Singwi, Effective two-body interaction in Coulomb Fermi liquids, Phys. Rev. B 32, 2156 (1985).
- A. Cucciari, D. Naddeo, S. Di Cataldo, and L. Boeri, NbTi: A nontrivial puzzle for the conventional theory of superconductivity, Phys. Rev. B 110, L140502 (2024).
- C. Baumgartner, L. Fuchs, A. Costa, S. Reinhardt, S. Gronin, G. C. Gardner, T. Lindemann, M. J. Manfra, P. E. Faria Junior, D. Kochan, J. Fabian, N. Paradiso, and C. Strunk, Supercurrent rectification and magnetochiral effects in symmetric Josephson junctions, Nat. Nanotechnol. 17, 39 (2022).
- R. S. Souto, M. Leijnse, and C. Schrade, Josephson diode effect in supercurrent interferometers, Phys. Rev. Lett. 129, 267702 (2022).
- M. Davydova, S. Prembabu, and L. Fu, Universal Josephson diode effect, Sci. Adv. 8, eabo0309 (2022).
- O. Clark, M. Neat, K. Okawa, L. Bawden, I. Marković, F. Mazzola, J. Feng, V. Sunko, J. Riley, W. Meevasana, J. Fujii, I. Vobornik, T. Kim, M. Hoesch, T. Sasagawa, P. Wahl, M. Bahramy, and P. King, Fermiology and superconductivity of topological surface states in , Phys. Rev. Lett. 120, 156401 (2018).
- McFarlane et al., Van Hove singularities, superconductivity, and the Josephson diode effect in and , Available at, 10.17617/3.2PXLY6 (Edmond 2026).