Theory of the sp–d coupling of transition metal impurities with free carriers in ZnO

Abstract The $$s,p{-}d$$ s , p - d exchange coupling between the spins of band carriers and of transition metal (TM) dopants ranging from Ti to Cu in ZnO is studied within the density functional theory. The $$+U$$ + U corrections are included to reproduce the experimental ZnO band gap and the dopant...

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Autores principales: Anna Ciechan, Piotr Bogusławski
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/ca7fb163d5434c7e8d90f774cfab10a5
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