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Prediction of Site Preference of Implanted Transition Metal Dopants in Rock-salt Oxides

Transition metals (TMs) implanted in oxides with rock-salt crystal structures (for example MgO and BaO) are assumed to substitute cations (Mg in case of MgO) from the lattice sites. We show that not all implanted TMs substitute cations but can be stable in interstitial sites as well. Stability of TM...

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Detalles Bibliográficos
Autores principales: Misra, Debolina, Yadav, Satyesh K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6715737/
https://www.ncbi.nlm.nih.gov/pubmed/31467380
http://dx.doi.org/10.1038/s41598-019-49011-5