Two-dimensional materials as hosts of spin qubits

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).