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Gd3Ni2 and Gd3CoxNi2-x: magnetism and unexpected Co/Ni crystallographic ordering

TitleGd3Ni2 and Gd3CoxNi2-x: magnetism and unexpected Co/Ni crystallographic ordering
Publication TypeJournal Article
Year of Publication2016
AuthorsProvino, A, Smetana, V, Paudyal, D, Gschneidner, KA, Mudring, AV, Pecharsky, VK, Manfrinetti, P, Putti, M
JournalJournal of Materials Chemistry C
Date Published05
Type of ArticleArticle
ISBN Number2050-7526
Accession NumberWOS:000378719600023
Keywordscrystal-structure, dy3ni2, gd, Materials Science, phase, physics, refrigeration, systems

= 1). The crystal structure of the Gd3CoNi is a ternary ordered derivative of the monoclinic Dy3Ni2-type, where Co fully occupies only one of the two 4i Wyckoff sites available for the transition metal. To the best of our knowledge, this is the first example of an intermetallic phase showing ordered site occupations by the chemically quite similar elements Co and Ni. All compounds show long range ferromagnetic ordering, with T-C progressively increasing from 147 K (for Gd3Ni2) to 176 K (for Gd3CoNi) as a cubic function of the Co content. Evidence of Co contributing to the magnetic interactions in these compounds has been found. First-principles total energy calculations predicted the ordered occupation of Co and Ni at the crystallographic sites of Gd3CoNi, which was later confirmed by single crystal X-ray diffraction. The increased conduction electronic state (3d) exchange splitting at the Fermi level supports the experimentally observed enhanced Curie temperature in Gd3CoNi compared to Gd3Ni2.

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Alternate JournalJ. Mater. Chem. C