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Exploring the High-Temperature Stabilization of Cubic Zirconia from Anharmonic Lattice Dynamics

[Image: see text] Finite-temperature stability of crystals is of continuous relevance in solid-state chemistry with many important properties only emerging in high-temperature polymorphs. Currently, the discovery of new phases is largely serendipitous due to a lack of computational methods to predic...

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Detalles Bibliográficos
Autores principales: Tolborg, Kasper, Walsh, Aron
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10161191/
https://www.ncbi.nlm.nih.gov/pubmed/37159659
http://dx.doi.org/10.1021/acs.cgd.2c01458