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The Role of Zr on Monoclinic and Orthorhombic Hf(x)Zr(y)O(2) Systems: A First-Principles Study

HfO(2) shows different polymorphs, including monoclinic and orthorhombic ones, that exhibit singular properties. Moreover, the character of HfO(2) is also influenced by the Zr atoms as a doping agent. Here, an extensive study of the monoclinic P2(1)/c and the orthorhombic Pca2(1) polymorphs of HfO(2...

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Detalles Bibliográficos
Autores principales:	Pavoni, Eleonora, Mohebbi, Elaheh, Stipa, Pierluigi, Mencarelli, Davide, Pierantoni, Luca, Laudadio, Emiliano
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9229089/ https://www.ncbi.nlm.nih.gov/pubmed/35744234 http://dx.doi.org/10.3390/ma15124175

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