Supplementary Online Material

See the supplementary material for more computational details, local geometry of the defects (Figs. S1-S5), defect transition-level values (Table S1), single-particle defect states in the CaO band gap (Figs. S6-S8), and defect concentrations (Table S2).

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Bibliographische Detailangaben
Hauptverfasser: Yuan, Zhenkun, Hautier, Geoffroy
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Sprache:eng
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Zusammenfassung:See the supplementary material for more computational details, local geometry of the defects (Figs. S1-S5), defect transition-level values (Table S1), single-particle defect states in the CaO band gap (Figs. S6-S8), and defect concentrations (Table S2).
DOI:10.60893/figshare.apl.25879450