High-throughput search for defect-based qubits in silicon

ORAL

Abstract

Point defects in semiconductors have become central to searching and designing physical systems for use as qubits. The color centers in silicon have seen a resurgence of interest in quantum information science, such as Se+Si, the T center, and the G center [1,2,3,4]. Using first-principles methods, we performed a high-throughput search for point defects (substitutions and interstitials) in silicon that are thermodynamically stable, with accessible charge states, and optically active. Our results suggest promising candidates for qubit applications and shed light on designing strategies for innovative defect-based qubits.

*This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences in Quantum Information Science under Award Number DE-SC0022289. This research used resources from the National Energy Research Scientific Computing Center, 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 BES-ERCAP0020966.

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Publication: [1] Bergeron, L., Chartrand, C., Kurkjian, A. T. K., Morse, K. J., Riemann, H., Abrosimov, N. V, Becker, P., Pohl, H.-J., Thewalt, M. L. W. & Simmons, S., "Silicon-Integrated Telecommunications Photon-Spin Interface," PRX Quantum 1, 20301 (2020). DOI: 10.1103/PRXQuantum.1.020301
[2] Higginbottom, D.B., Kurkjian, A.T., Chartrand, C., Kazemi, M., Brunelle, N.A., MacQuarrie, E.R., Klein, J.R., Lee-Hone, N.R., Stacho, J., Ruether, M., Bowness, C., et al. "Optical observation of single spins in silicon". Nature, 607 266-270 (2022), DOI:10.1038/s41586-022-04821-y
[3] Morse, K.J., Abraham, R.J., DeAbreu, A., Bowness, C., Richards, T.S., Riemann, H., Abrosimov, N.V., Becker, P., Pohl, H.J., Thewalt, M.L. & Simmons, S., "A photonic Platform for Donor Spin Qubits in Silicon," Science advances, 3(7), p.e1700930 (2017). DOI: 10.1126/sciadv.1700930
[4] Cloutier, G.C., Kossyrev, P. A., & Xu, J., "Optical gan and stimulated emission in periodic nanopatterned crystalline silicon," Nature materials, 4, 887-891 (2005). DOI: 10.1038/nmat1530

Presenters

  • Yihuang Xiong

    • Pennsylvania State University
    • Dartmouth College
    • Department of Materials Science and Engineering, The Pennsylvania State University

Authors

  • Yihuang Xiong

    • Pennsylvania State University
    • Dartmouth College
    • Department of Materials Science and Engineering, The Pennsylvania State University

  • Diana Dahliah

    • Université catholique de Louvain

  • Céline Bourgois

    • Université catholique de Louvain

  • Sinead M Griffin

    • Lawrence Berkeley National Laboratory
    • Materials Science Division and Molecular Foundry, Berkeley Lab
    • Lawrence Berkeley National Lab
    • Materials Sciences Division and Molecular Foundry, LBNL

  • Alp Sipahigil

    • University of California, Berkeley

  • Geoffroy Hautier

    • Dartmouth College