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EuNi5InH1.5-x (x=0-1.5): hydrogen induced structural and magnetic transitions

TitleEuNi5InH1.5-x (x=0-1.5): hydrogen induced structural and magnetic transitions
Publication TypeJournal Article
Year of Publication2017
AuthorsBigun, I, Smetana, V, Mudryk, Y, Hlova, I, Dzevenko, M, Havela, L, Kalychak, Y, Pecharsky, V, Mudring, AV
JournalJournal of Materials Chemistry C
Date Published03
Type of ArticleArticle
ISBN Number2050-7526
Accession NumberWOS:000397963500002
Keywordsabsorption, alloys, ce, ce2ni7d-similar-to-4, crystal-structure, Materials Science, metal-hydrides, nd, physics, system, total-energy calculations, wave basis-set

dride with several different types of chemical bonding interactions being present in the compound ranging from the formally ionic EuH to covalent NiH and delocalized metalmetal. Geometry optimization confirm the thermodynamic instability of the intermetallic host lattice for the hydride and supports a transformation into the parental structure as observed experimentally.

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Alternate JournalJ. Mater. Chem. C