The ADAQ defect database for quantum applications

ORAL

Abstract

A handful of point defects in a few materials are being studied for quantum applications. Could there be undiscovered defects with better properties? To address this, we have developed an online database built using ADAQ [1] which holds the high-throughput results of over 30000 processed defects. Among the hosts are well-studied quantum materials like diamond, where we recently found sodium-related defects to have interesting properties (such as high spin) for quantum applications [2]. There are also novel quantum materials like CaO, where we found the Bi_Ca-Vac_O defect with coherence time beyond seconds at the clock-like transition [3]. These discoveries are due to the high-throughput database ADAQ, and in this presentation, we explore it to highlight some promising systems.

[1] https://httk.org/adaq/

[2] Davidsson, J., Stenlund, W., Parackal, A. S., Armiento, R., & Abrikosov, I. A. (2023). Na in Diamond: High Spin Defects Revealed by the ADAQ High-Throughput Computational Database. arXiv preprint arXiv:2306.11116. https://arxiv.org/abs/2306.11116

[3] Davidsson, J., Onizhuk, M., Vorwerk, C., & Galli, G. (2023). Discovery of Atomic Clock-Like Spin Defects in Simple Oxides from First Principles. arXiv preprint arXiv:2302.07523. https://arxiv.org/abs/2302.07523

* The Knut and Alice Wallenberg Foundation through the WBSQD2 project (Grant No. 2018.0071)The Swedish e-Science Centre (SeRC)the Swedish Research Council (VR) Grant No. 2022-00276

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Publication: Davidsson, J., Ivády, V., Armiento, R., & Abrikosov, I. A., ADAQ: Automatic workflows for magneto-optical properties of point defects in semiconductors. Computer Physics Communications, 108091 (2021)

Davidsson, J., Stenlund, W., Parackal, A. S., Armiento, R., & Abrikosov, I. A. (2023). Na in Diamond: High Spin Defects Revealed by the ADAQ High-Throughput Computational Database. arXiv preprint arXiv:2306.11116. https://arxiv.org/abs/2306.11116

Davidsson, J., Onizhuk, M., Vorwerk, C., & Galli, G. (2023). Discovery of Atomic Clock-Like Spin Defects in Simple Oxides from First Principles. arXiv preprint arXiv:2302.07523. https://arxiv.org/abs/2302.07523

Presenters

  • Joel Davidsson

    Linkoping University

Authors

  • Joel Davidsson

    Linkoping University

  • Rickard Armiento

    Linköping University

  • Igor A. Abrikosov

    Linkoping University