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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...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
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 |