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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...

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Detalles Bibliográficos
Autores principales:	Jin, Mingge, Li, Zhibing, Huang, Feng, Xia, Yu, Ji, Xu, Wang, Weiliang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2018
Materias:	Chemistry
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

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