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PBE-GGA predicts the B8↔B2 phase boundary of FeO at Earth’s core conditions

FeO is a crucial component of the Earth’s core, and its thermodynamic properties are essential to developing more accurate core models. It is also a notorious correlated insulator in the NaCl-type (B1) phase at ambient conditions. It undergoes two polymorphic transitions at 300 K before it becomes m...

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Detalles Bibliográficos
Autores principales:	Zhang, Zhen, Sun, Yang, Wentzcovitch, Renata M.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	National Academy of Sciences 2023
Materias:	Physical Sciences
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10334785/ https://www.ncbi.nlm.nih.gov/pubmed/37399372 http://dx.doi.org/10.1073/pnas.2304726120

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