Magnetic properties of nitrogen-doped ZrO(2): Theoretical evidence of absence of room temperature ferromagnetism

N-dopants in bulk monoclinic ZrO(2) and their magnetic interactions have been investigated by DFT calculations, using the B3LYP hybrid functional. The electronic and magnetic properties of the paramagnetic N species, substitutionals and interstitials, are discussed. Their thermodynamic stability has...

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Detalles Bibliográficos
Autores principales: Albanese, Elisa, Leccese, Mirko, Di Valentin, Cristiana, Pacchioni, Gianfranco
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4985629/
https://www.ncbi.nlm.nih.gov/pubmed/27527493
http://dx.doi.org/10.1038/srep31435

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4985629/
https://www.ncbi.nlm.nih.gov/pubmed/27527493
http://dx.doi.org/10.1038/srep31435

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