Two-dimensional materials as hosts of spin qubits

POSTER

Abstract

Expanding the selection of qubit host materials will enable the design of on-demand quantum devices. An important design consideration is the coherence time (T2), a metric for the lifetime of the qubit’s information which strongly depends on the host material’s nuclear isotope content. Two-dimensional (2D) materials are particularly attractive host candidates due to their inherently low density of nuclear isotopes [1], but they require a suitable substrate that will not degrade the T2 time [2]. We therefore develop a computational workflow to compute T2 in a high-throughput manner for any group of materials. We screen a database of 2D materials using the workflow, allowing us to identify 190 monolayers with T2 > 1 ms, including WS2 and PdSO4. We then apply the workflow to 1554 heterostructures with various substrates, where we find that low-noise substrates, such as CeO2 and CaO, can help maintain long T2. We also derive and validate analytical models of T2, which enable rapid predictions of T2 based only on the structures of the 2D host and substrate materials. Our work [3] expands the genome of qubit coherence properties for the development of spin qubit platforms.

[1] M. Ye, H. Seo, and G. Galli, npj. Comput. Mater. 44, 5 (2019).

[2] M. Onizhuk and G. Galli, Appl. Phys. Lett. 118, 154003 (2021).

[3] M. Toriyama, J. Zhan, S. Kanai, and G. Galli, arXiv:2509.00222 (2025).

*This work was supported by the Midwest Integrated Center for Computational Materials (MICCoM). MICCoM is part of the Computational Materials Sciences Program funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences, and Engineering Division through the Argonne National Laboratory, under contract No. DEAC02-06CH11357. This work was completed in part with resources provided by the University of Chicago's Research Computing Center. This research used resources of the National Energy Research Scientific Computing Center (NERSC), a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 using NERSC award ALCC-ERCAP0025950. This work was partly supported by JSPS Kakenhi (Grant No. 23KK0092), QST Cross-ministerial Strategic Innovation Promotion Program, JST-PRESTO (Grant No. JPMJPR21B2), and RIEC Cooperative Research Projects.

Publication: M. Toriyama, J. Zhan, S. Kanai, and G. Galli, arXiv:2509.00222 (2025).

Presenters

  • Michael Toriyama

    • Argonne National Laboratory

Authors

  • Michael Toriyama

    • Argonne National Laboratory

  • Jiawei Zhan

    • University of Chicago

  • Shun Kanai

    • Tohoku University, Japan

  • Giulia Galli

    • University of Chicago