Variation of the bonding interactions and magnetism in GdAuX (X = Mg, Cd, and In)

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dc.creatorKandpal, Hem Chandra
dc.creatorCasper, Frederick
dc.creatorFecher, Gerhard H.
dc.creatorFelser, Claudia
dc.creatorKuebler, Juergen
dc.creatorPoettgen, Rainer
dc.date2007-09-27
dc.date.accessioned2026-07-07T08:32:38Z
dc.date.available2026-07-07T08:32:38Z
dc.descriptionResults of first-principles electronic structure calculations for the isotypic compounds GdAuX (ZrNiAl type, X = Mg, Cd, and In) are presented. We report on a systematic examination of the electronic structure and nature of the bonding in these intermetallics. Our calculations indicate a metallic state for all of the compounds. We find that the indium in GdAuIn and magnesium in GdAuMg have significant bonding interactions with Au. We have also identified In s lone pair in GdAuIn has more localized behaviour as compared with Mg s in GdAuMg. The magnetic properties are well described within the local density approximation.
dc.description15 pages 4 figures
dc.identifierhttps://arxiv.org/abs/0709.4445
dc.identifierhttp://arxiv.org/abs/0709.4445
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/138855
dc.subjectComputational Physics
dc.titleVariation of the bonding interactions and magnetism in GdAuX (X = Mg, Cd, and In)
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