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Pressure-Induced Phase Transformations of Quasi-2D Sr(3)Hf(2)O(7)

[Image: see text] We present an abinitio study of the quasi-2D layered perovskite Sr(3)Hf(2)O(7) compound, performed within the framework of the density functional theory and lattice dynamics analysis. At high temperatures, this compound takes a I4/mmm centrosymmetric structure (S.G. n. 139); as the...

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Detalles Bibliográficos
Autores principales:	Barbosa, M. C. B., da Silva, E. Lora, Lekshmi, P. Neenu, Marcondes, M. L., Assali, L. V. C., Petrilli, H. M., Lopes, A. M. L., Araújo, J. P.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10497066/ https://www.ncbi.nlm.nih.gov/pubmed/37706058 http://dx.doi.org/10.1021/acs.jpcc.3c01596

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