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Vacancy and Doping States in Monolayer and bulk Black Phosphorus
The atomic geometries and transition levels of point defects and substitutional dopants in few-layer and bulk black phosphorus are calculated. The vacancy is found to reconstruct in monolayer P to leave a single dangling bond, giving a negative U defect with a +/− transition level at 0.24 eV above t...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group
2015
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4585662/ https://www.ncbi.nlm.nih.gov/pubmed/26383634 http://dx.doi.org/10.1038/srep14165 |