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hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorMATAR, Samir F.
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorCHEVALIER, Bernard
hal.structure.identifierInstitut für Anorganische und Analytische Chemie
dc.contributor.authorPÖTTGEN, Rainer
dc.date.issued2014
dc.identifier.issn1293-2558
dc.description.abstractEnThe electronic structures and chemical bonding of selected ternary compounds of the A4T7X6 family (of U4Re7Si6-type) intermetallics have been studied by ab initio methods. The calculations for two series: Mg4Rh7P6, Sc4Co7Ge6, Ti4Co7Ge6 and uranium containing U4Re7Si6, U4Ru7Ge6, and U4Ru7As6 show common bonding characteristics pertaining to main T1-X and T2-X interactions (T = transition metal and X = p-element) due to the peculiar crystal chemistry with T1@X6 and T2@X4 coordination polyhedra. The uranium compounds are found to be stabilized in a spin polarized ferromagnetic configuration, especially for U4Ru7Ge6 (in agreement with experiment) and U4Ru7As6.
dc.language.isoen
dc.publisherElsevier
dc.title.enThe U4Re7Si6 type - Trends in electronic structure and chemical bonding
dc.typeArticle de revue
dc.identifier.doi10.1016/j.solidstatesciences.2013.10.008
dc.subject.halChimie/Matériaux
bordeaux.journalSolid State Sciences
bordeaux.page5-10
bordeaux.volume27
bordeaux.peerReviewedoui
hal.identifierhal-00906699
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00906699v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Solid%20State%20Sciences&rft.date=2014&rft.volume=27&rft.spage=5-10&rft.epage=5-10&rft.eissn=1293-2558&rft.issn=1293-2558&rft.au=MATAR,%20Samir%20F.&CHEVALIER,%20Bernard&P%C3%96TTGEN,%20Rainer&rft.genre=article


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