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Critical conditions for the formation of p-type ZnO with Li doping
The stability of Li dopants in ZnO is studied via first-principles calculations with electric dipole correction. The formation energies of substitutional Li (Li(Zn)), interstitial Li (Li(i)) and the Li(Zn) + Li(i) complex are calculated in large supercells and the results are extrapolated to the lim...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9085499/ https://www.ncbi.nlm.nih.gov/pubmed/35548733 http://dx.doi.org/10.1039/c8ra04811h |