GAUDIN, Etienne; MATAR, Samir F.; PÖTTGEN, Rainer; EUL, Matthias; CHEVALIER, Bernard

doi:10.1021/ic201579r

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GAUDIN, Etienne
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

MATAR, Samir F.
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

PÖTTGEN, Rainer
Institut für Anorganische und Analytische Chemie

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Inorganic Chemistry. 2011, vol. 50, n° 21, p. 11046-11054

American Chemical Society

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Hydrogen absorption of the CeFeSi- and CeScSi-type forms of GdTiGe was performed. Before hydrogenation they show an antiferromagnetic transition at around 412 K and a ferromagnetic transition at 376 K, respectively. Hydrogenation of both forms leads to formation of the same hydride GdTiGeH which crystallizes with a filled CeScSi-type structure where all the [Gd(4)] tetrahedra are filled by hydrogen. This hydride is paramagnetic in the temperature range 4-300 K. The slightly negative value of the paramagnetic Curie temperature θ(p) confirms that all ferromagnetic interactions were destroyed in the case of the CeScSi-type form. From first-principles calculations with the PAW GGA methodology, the localization of hydrogen within the [Gd(4)] tetrahedra was confirmed through energetic stabilization. It was also seen that the energy changes significantly with volume, indicating the itinerant (delocalized) role of the electrons in the magnetism.< Réduire

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Drastic change of the ferromagnetic properties of the ternary germanide GdTiGe through hydrogen insertion

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