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Solid state defects for quantum information processing

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Paramagnetic fluorescent defects in semiconductors are promising building blocks for quantum information processing [1]. The extraordinary properties of defects such as the famous NV center in diamond allow optical control of the electron and nuclear spins at room temperature, and several quantum operations have been carried out by these systems so far. The discovery of similar defects in other host materials might allow for more sophisticated implementations of single-photon emitters or qubits [2]. However, major challenges persist and need to be addressed for the further rational design and development of defects. In this talk, I will highlight how first-principles calculations can serve as an exceptionally robust tool for finding novel defect qubits and single-photon emitters in solids, especially in hexagonal boron nitride [3,4], through detailed predictions of electronic, magnetic, and optical properties.

References

[1] G. Wolfowicz, F. J. Heremans, C. P. Anderson, S. Kanai, H. Seo, A. Gali, G. Galli, and D. D. Awschalom, Nat. Rev. Mater. 6, 906 (2021)

[2] H. L. Stern, Q. Gu, J. Jarman, S. E. Barker, N. Mendelson, D. Chugh, S. Schott, H. H. Tan, H. Sirringhaus, I. Aharonovich, and M. Atature, Nat. Commun. 13, 618 (2022).

[3] S. Li and A. Gali, J. Phys. Chem. Lett. 13, 9544 (2022).

[4] S. Li, A. Pershin, G. Thiering, P. Udvarhelyi, and A. Gali, J. Phys. Chem. Lett. 13, 3150 (2022).

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