Application of the aperiodic defect model to a negatively charged monovacancy in phosphorene
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arXiv
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| Main Authors: | Rickert, Charlotte, Barta, Lily, Flach, Ernst-Christian, Kats, Daniel, Usvyat, Denis |
|---|---|
| Format: | Preprint |
| Published: |
2026
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| Subjects: | |
| Online Access: | |
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