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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Format: | Bild |
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). |
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DOI: | 10.60893/figshare.apl.25879450 |