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Why superconducting Ta qubits have fewer tunneling two-level systems at the vacuum-oxide interface than Nb qubits

Zhe Wang, Clare C. Yu, and Ruqian Wu*

  • *Contact author: wur@uci.edu

Phys. Rev. Applied 23, 024017 – Published 6 February, 2025

DOI: https://doi.org/10.1103/PhysRevApplied.23.024017

Abstract

Superconducting qubits are a key contender for quantum computing elements, but they often face challenges like noise and decoherence from two-level systems (TLSs). Tantalum (Ta) qubits are notable for their long T1 coherence times, nearing milliseconds, presumably due to fewer TLSs, though the cause of this is unclear. We explore this by analyzing the vacuum-oxide interface using density functional theory, particularly comparing Nb oxide (Nb2O5) and Ta oxide (Ta2O5). We discover that Ta2O5 forms a smoother surface with fewer dangling O atoms and structural TLSs than Nb2O5. The greater atomic mass of Ta also lowers the tunnel splittings of these structural TLSs below the qubit’s operating frequency. Furthermore, using external electric fields or SO2 passivation can significantly reduce defect-related TLSs on Nb surfaces, potentially improving their coherence times.

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References (65)

  1. J. Q. You and F. Nori, Superconducting circuits and quantum information, Phys. Today 58, 42 (2005).
  2. J. Clarke and F. K. Wilhelm, Superconducting quantum bits, Nature 453, 1031 (2008).
  3. M. Kjaergaard, M. E. Schwartz, J. Braumüller, P. Krantz, J. I.-J. Wang, S. Gustavsson, and W. D. Oliver, Superconducting qubits: Current state of play, Annu. Rev. Condens. Matter Phys. 11, 369 (2020).
  4. I. Siddiqi, Engineering high-coherence superconducting qubits, Nat. Rev. Mater. 6, 875 (2021).
  5. J. M. Martinis, K. B. Cooper, R. McDermott, M. Steffen, M. Ansmann, K. D. Osborn, K. Cicak, S. Oh, D. P. Pappas, R. W. Simmonds, and C. C. Yu, Decoherence in Josephson qubits from dielectric loss, Phys. Rev. Lett. 95, 210503 (2005).
  6. C. Müller, J. H. Cole, and J. Lisenfeld, Towards understanding two-level-systems in amorphous solids: Insights from quantum circuits, Rep. Prog. Phys. 82, 124501 (2019).
  7. P. W. Anderson, B. I. Halperin, and C. M. Varma, Anomalous low-temperature thermal properties of glasses and spin glasses, Philos. Mag. 25, 1 (1972).
  8. W. A. Phillips, Tunneling states in amorphous solids, J. Low Temp. Phys. 7, 351 (1972).
  9. A. M. Holder, K. D. Osborn, C. J. Lobb, and C. B. Musgrave, Bulk and surface tunneling hydrogen defects in alumina, Phys. Rev. Lett. 111, 065901 (2013).
  10. L. Gordon, H. Abu-Farsakh, A. Janotti, and C. G. Van de Walle, Hydrogen bonds in Al2O3 as dissipative two-level systems in superconducting qubits, Sci. Rep. 4, 7590 (2014).
  11. A. P. Paz, I. V. Lebedeva, I. V. Tokatly, and A. Rubio, Identification of structural motifs as tunneling two-level systems in amorphous alumina at low temperatures, Phys. Rev. B 90, 224202 (2014).
  12. K. Agarwal, I. Martin, M. D. Lukin, and E. Demler, Polaronic model of two-level systems in amorphous solids, Phys. Rev. B 87, 144201 (2013).
  13. D. Lee, J. L. DuBois, and V. Lordi, Identification of the local sources of paramagnetic noise in superconducting qubit devices fabricated on α-Al2O3 substrates using density-functional calculations, Phys. Rev. Lett. 112, 017001 (2014).
  14. S. E. de Graaf, L. Faoro, L. B. Ioffe, S. Mahashabde, J. J. Burnett, T. Lindström, S. E. Kubatkin, A. V. Danilov, and A. Y. Tzalenchuk, Two-level systems in superconducting quantum devices due to trapped quasiparticles, Sci. Adv. 6, eabc5055 (2020).
  15. Z.-H. Zhang, K. Godeneli, J. He, M. Odeh, H. Zhou, S. Meesala, and A. Sipahigil, Acceptor-induced bulk dielectric loss in superconducting circuits on silicon, Phys. Rev. X 14, 041022 (2024).
  16. M. Constantin, C. C. Yu, and J. M. Martinis, Saturation of two-level systems and charge noise in Josephson junction qubits, Phys. Rev. B 79, 094520 (2009).
  17. M. Constantin and C. C. Yu, Microscopic model of critical current noise in Josephson junctions, Phys. Rev. Lett. 99, 207001 (2007).
  18. J. Verjauw, A. Potočnik, M. Mongillo, R. Acharya, F. Mohiyaddin, G. Simion, A. Pacco, T. Ivanov, D. Wan, A. Vanleenhove, and L. Souriau, Investigation of microwave loss induced by oxide regrowth in high-Q niobium resonators, Phys. Rev. Appl. 16, 014018 (2021).
  19. A. Premkumar, C. Weiland, S. Hwang, B. Jäck, A. P. Place, I. Waluyo, A. Hunt, V. Bisogni, J. Pelliciari, A. Barbour, and M. S. Miller, Microscopic relaxation channels in materials for superconducting qubits, Commun. Mater. 2, 72 (2021).
  20. A. A. Murthy, P. Masih Das, S. M. Ribet, C. Kopas, J. Lee, M. J. Reagor, L. Zhou, M. J. Kramer, M. C. Hersam, M. Checchin, and A. Grassellino, Developing a chemical and structural understanding of the surface oxide in a niobium superconducting qubit, ACS Nano 16, 17257 (2022).
  21. M. V. P. Altoé, A. Banerjee, C. Berk, A. Hajr, A. Schwartzberg, C. Song, M. Alghadeer, S. Aloni, M. J. Elowson, J. M. Kreikebaum, and E. K. Wong, Localization and mitigation of loss in niobium superconducting circuits, PRX Quantum 3, 020312 (2022).
  22. K. Zheng, D. Kowsari, N. J. Thobaben, X. Du, X. Song, S. Ran, E. A. Henriksen, D. S. Wisbey, and K. W. Murch, Nitrogen plasma passivated niobium resonators for superconducting quantum circuits, Appl. Phys. Lett. 120, 102601 (2022).
  23. J. Verjauw, R. Acharya, J. Van Damme, T. Ivanov, D. P. Lozano, F. A. Mohiyaddin, D. Wan, J. Jussot, A. M. Vadiraj, M. Mongillo, and M. Heyns, Path toward manufacturable superconducting qubits with relaxation times exceeding 0.1 ms, Npj Quantum Inf. 8, 93 (2022).
  24. M. Bal, A. A. Murthy, S. Zhu, F. Crisa, X. You, Z. Huang, T. Roy, J. Lee, D. V. Zanten, R. Pilipenko, and I. Nekrashevich, Systematic improvements in transmon qubit coherence enabled by niobium surface encapsulation, Npj Quantum Inf. 10, 43 (2024).
  25. A. P. M. Place, L. V. Rodgers, P. Mundada, B. M. Smitham, M. Fitzpatrick, Z. Leng, A. Premkumar, J. Bryon, A. Vrajitoarea, S. Sussman, and G. Cheng, New material platform for superconducting transmon qubits with coherence times exceeding 0.3 milliseconds, Nat. Commun. 12, 1779 (2021).
  26. C. Wang, X. Li, H. Xu, Z. Li, J. Wang, Z. Yang, Z. Mi, X. Liang, T. Su, C. Yang, and G. Wang, Towards practical quantum computers: Transmon qubit with a lifetime approaching 0.5 milliseconds, Npj Quantum Inf. 8, 3 (2022).
  27. M. Grundner and J. Halbritter, On the natural Nb2O5 growth on Nb at room temperature, Surf. Sci. 136, 144 (1984).
  28. A. Bilmes, A. Megrant, P. Klimov, G. Weiss, J. M. Martinis, A. V. Ustinov, and J. Lisenfeld, Resolving the positions of defects in superconducting quantum bits, Sci. Rep. 10, 3090 (2020).
  29. A. Bilmes, S. Volosheniuk, A. V. Ustinov, and J. Lisenfeld, Probing defect densities at the edges and inside Josephson junctions of superconducting qubits, Npj Quantum Inf. 8, 24 (2022).
  30. P. E. Blöchl, Projector augmented-wave method, Phys. Rev. B 50, 17953 (1994).
  31. 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).
  32. 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).
  33. J. P. Perdew, K. Burke, and M. Ernzerhof, Generalized gradient approximation made simple, Phys. Rev. Lett. 77, 3865 (1996).
  34. J. P. Perdew, K. Burke, and Y. Wang, Generalized gradient approximation for the exchange-correlation hole of a many-electron system, Phys. Rev. B 54, 16533 (1996).
  35. G. Henkelman, B. P. Uberuaga, and H. Jónsson, A climbing image nudged elastic band method for finding saddle points and minimum energy paths, J. Chem. Phys. 113, 9901 (2000).
  36. S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements HPu, J. Chem. Phys. 132, 154104 (2010).
  37. S. Grimme, S. Ehrlich, and L. Goerigk, Effect of the damping function in dispersion corrected density functional theory, J. Comput. Chem. 32, 1456 (2011).
  38. K. Momma and F. Izumi, VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data, J. Appl. Crystallogr. 44, 1272 (2011).
  39. R. Jinnouchi, J. Lahnsteiner, F. Karsai, G. Kresse, and M. Bokdam, Phase transitions of hybrid perovskites simulated by machine-learning force fields trained on the fly with Bayesian inference, Phys. Rev. Lett. 122, 225701 (2019).
  40. R. Jinnouchi, F. Karsai, and G. Kresse, On-the-fly machine learning force field generation: Application to melting points, Phys. Rev. B 100, 014105 (2019).
  41. R. Jinnouchi, F. Karsai, C. Verdi, R. Asahi, and G. Kresse, Descriptors representing two- and three-body atomic distributions and their effects on the accuracy of machine-learned inter-atomic potentials, J. Chem. Phys. 152, 234102 (2020).
  42. J. Du and A. N. Cormack, Atomistic Simulations of Glasses: Fundamentals and Applications (John Wiley & Sons, Inc., Hoboken, New Jersey, 2022).
  43. J. K. Christie and A. Tilocca, Short-range structure of yttrium alumino-silicate glass for cancer radiotherapy: Car–Parrinello molecular dynamics simulations, Adv. Eng. Mater. 12, B326 (2010).
  44. A. Tilocca, Structure and dynamics of bioactive phosphosilicate glasses and melts from ab initio molecular dynamics simulations, Phys. Rev. B 76, 224202 (2007).
  45. J. Du and L. R. Corrales, Structure, dynamics, and electronic properties of lithium disilicate melt and glass, J. Chem. Phys. 125, 114702 (2006).
  46. H. Wang, C. Shi, J. Hu, S. Han, C. C. Yu, and R. Q. Wu, Candidate source of flux noise in SQUIDs: Adsorbed oxygen molecules, Phys. Rev. Lett. 115, 077002 (2015).
  47. Z. Wang, H. Wang, C. C. Yu, and R. Q. Wu, Hydrogen as a source of flux noise in SQUIDs, Phys. Rev. B 98, 020403 (2018).
  48. T. S. Ercit, Refinement of the structure of ζ-Nb2O5 and its relationship to the rutile and thoreaulite structures, Mineral. Petrol. 43, 217 (1991).
  49. I. P. Zibrov, V. P. Filonenko, M. Sundberg, and P.-E. Werner, Structures and phase transitions of B-Ta2O5 and Z-Ta2O5: Two high-pressure forms of Ta2O5, Acta. Crystallogr. B 56, 659 (2000).
  50. H. M. Carruzzo, A. Bilmes, J. Lisenfeld, Z. Yu, B. Wang, Z. Wan, J. R. Schmidt, and C. C. Yu, Distribution of two-level system couplings to strain and electric fields in glasses at low temperatures, Phys. Rev. B 104, 134203 (2021).
  51. G. J. Grabovskij, T. Peichl, J. Lisenfeld, G. Weiss, and A. V. Ustinov, Strain tuning of individual atomic tunneling systems detected by a superconducting qubit, Science 338, 232 (2012).
  52. H. M. Carruzzo and C. C. Yu, Why phonon scattering in glasses is universally small at low temperature, Phys. Rev. Lett. 124, 075902 (2020).
  53. W. Tang, E. Sanville, and G. Henkelman, A grid-based Bader analysis algorithm without lattice bias, J. Phys.: Condens. Matter 21, 084204 (2009).
  54. B. Sarabi, A. N. Ramanayaka, A. L. Burin, F. C. Wellstood, and K. D. Osborn, Projected dipole moments of individual two-level defects extracted using circuit quantum electrodynamics, Phys. Rev. Lett. 116, 167002 (2016).
  55. D. J. Griffiths and D. F. Schroeter, Introduction to Quantum Mechanics (Cambridge University Press, Cambridge, UK, 2018).
  56. C. Enss and S. Hunklinger, Low-Temperature Physics (Springer-Verlag, Berlin, 2005).
  57. J. Lisenfeld, A. Bilmes, A. Megrant, R. Barends, J. Kelly, P. Klimov, G. Weiss, and J. M. Martinis, Electric field spectroscopy of material defects in transmon qubits, Npj Quantum Inf. 5, 105 (2019).
  58. M. Von Schickfus and S. Hunklinger, Saturation of the dielectric absorption of vitreous silica at low temperatures, Phys. Lett. 64A, 144 (1977).
  59. J. Lisenfeld, A. Bilmes, and A. V. Ustinov, Enhancing the coherence of superconducting quantum bits with electric fields, Npj Quantum Inf. 9, 8 (2023).
  60. C. Nico, T. Monteiro, and M. P. F. Graça, Niobium oxides and niobates physical properties: Review and prospects, Prog. Mater Sci. 80, 1 (2016).
  61. C. Valencia-Balvín, S. Pérez-Walton, G. M. Dalpian, and J. M. Osorio-Guillén, First-principles equation of state and phase stability of niobium pentoxide, Comput. Mater. Sci. 81, 133 (2014).
  62. M. B. Pinto, A. L. Soares, Jr, A. Mella Orellana, H. A. Duarte, and H. A. De Abreu, Structural, electronic, and thermodynamic properties of the T and B phases of niobia: First-principle calculations, J. Phys. Chem. A 121, 2399 (2017).
  63. S. Pérez-Walton, C. Valencia-Balvín, A. C. M. Padilha, G. M. Dalpian, and J. M. Osorio-Guillén, A search for the ground state structure and the phase stability of tantalum pentoxide, J. Phys.: Condens. Matter 28, 035801 (2016).
  64. D. D. Wagman, The NBS tables of chemical thermodynamic properties: Selected values for inorganic and C1 and C2 organic substances in SI units (American Chemical Society, Washington, 1982), J. Phys. Chem. Ref. Data 11, Suppl. 2 (1982).
  65. M. B. Pinto, A. L. Soares, Jr, M. C. Quintão, H. A. Duarte, and H. A. De Abreu, Unveiling the structural and electronic properties of the B-Nb2O5 surfaces and their interaction with H2O and H2O2, J. Phys. Chem. C 122, 6618 (2018).

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