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Exhaustive characterization of modified Si vacancies in 4H-SiC
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0002-5349-3318
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0002-7942-8442
Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0003-1000-0437
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2022 (English)In: Nanophotonics, ISSN 2192-8606, E-ISSN 2192-8614, Vol. 11, no 20, p. 4565-4580Article in journal (Refereed) Published
Abstract [en]

The negatively charged silicon vacancy (V-Si(-)) in silicon carbide is a well-studied point defect for quantum applications. At the same time, a closer inspection of ensemble photoluminescence and electron paramagnetic resonance measurements reveals an abundance of related but so far unidentified signals. In this study, we search for defects in 4H-SiC that explain the above magneto-optical signals in a defect database generated by automatic defect analysis and qualification (ADAQ) workflows. This search reveals only one class of atomic structures that exhibit silicon-vacancy-like properties in the data: a carbon anti-site (C-Si) within sub-nanometer distances from the silicon vacancy only slightly alters the latter without affecting the charge or spin state. Such a perturbation is energetically bound. We consider the formation of V-Si(-) + C-Si; up to 2 nm distance and report their zero phonon lines and zero field splitting values. In addition, we perform high-resolution photoluminescence experiments in the silicon vacancy region and find an abundance of lines. Comparing our computational and experimental results, several configurations show great agreement. Our work demonstrates the effectiveness of a database with high-throughput results in the search for defects in quantum applications.

Place, publisher, year, edition, pages
Walter de Gruyter, 2022. Vol. 11, no 20, p. 4565-4580
Keywords [en]
high-throughput; photoluminescence; point defects; SiC; silicon vacancy
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URN: urn:nbn:se:liu:diva-188417DOI: 10.1515/nanoph-2022-0400ISI: 000849179700001Scopus ID: 2-s2.0-85138157899OAI: oai:DiVA.org:liu-188417DiVA, id: diva2:1695494
Note

Funding Agencies|Knut and Alice Wallenberg Foundation through WBSQD2 project [2018.0071]; Swedish Government Strategic Research Area Swedish e-science Research Centre (SeRC); Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoping University [2009 00971]; Covid-19 SeRC transition grant; Swedish Research Council (VR) [2020-05402]; Swedish National Infrastructure for Computing (SNIC); Swedish Research Council [2018-05973]

Available from: 2022-09-14 Created: 2022-09-14 Last updated: 2025-09-23Bibliographically approved

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Davidsson, JoelShafizadeh, DanialIvanov, Ivan GueorguievIvády, ViktorArmiento, RickardAbrikosov, Igor A.

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