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New high-pressure phases of Fe(7)N(3) and Fe(7)C(3) stable at Earth's core conditions: evidences for carbon–nitrogen isomorphism in Fe-compounds

We carried out ab initio calculations on the crystal structure prediction and determination of P–T diagrams within the quasi-harmonic approximation for Fe(7)N(3) and Fe(7)C(3). Two new isostructural phases Fe(7)N(3)-C2/m and Fe(7)C(3)-C2/m which are dynamically and thermodynamically stable under the...

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Detalles Bibliográficos
Autores principales:	Sagatov, Nursultan, Gavryushkin, Pavel N., Inerbaev, Talgat M., Litasov, Konstantin D.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9060559/ https://www.ncbi.nlm.nih.gov/pubmed/35518092 http://dx.doi.org/10.1039/c8ra09942a

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