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Electronic and magnetic structures and bonding properties of Ce2T2X (T = nd element; X = Mg, Cd, Pb or Sn) intermetallics from first principles

hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorMATAR, Samir F.
hal.structure.identifierInstitut für Anorganische und Analytische Chemie
dc.contributor.authorPÖTTGEN, Rainer
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorCHEVALIER, Bernard
dc.date.issued2014
dc.identifier.issn0966-9795
dc.description.abstractEnThe electronic structure and chemical bonding properties of four families of Ce2T2X (T = nd element; X = Mg, Cd, Pb or Sn) intermetallics crystallizing in an ordered U3Si2 type structure are shown from density functional theory (DFT) calculations to present electronic and magnetic structure properties arising from their peculiar valence electron count (VEC). Trends of the magnetism are discussed in terms of the characteristics of the Ce(4f) states as well as the energetic position of the transition metal element d states.
dc.language.isoen
dc.publisherElsevier
dc.subject.enRare earth intermetallics
dc.subject.enCrystal chemistry of intermetallics
dc.subject.enElectronic structure
dc.subject.enCalculation
dc.title.enElectronic and magnetic structures and bonding properties of Ce2T2X (T = nd element; X = Mg, Cd, Pb or Sn) intermetallics from first principles
dc.typeArticle de revue
dc.identifier.doi10.1016/j.intermet.2014.02.018
dc.subject.halChimie/Matériaux
dc.subject.halChimie/Chimie inorganique
dc.subject.halChimie/Chimie théorique et/ou physique
bordeaux.journalIntermetallics
bordeaux.page18-23
bordeaux.volume51
bordeaux.peerReviewedoui
hal.identifierhal-00974017
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00974017v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Intermetallics&rft.date=2014&rft.volume=51&rft.spage=18-23&rft.epage=18-23&rft.eissn=0966-9795&rft.issn=0966-9795&rft.au=MATAR,%20Samir%20F.&P%C3%96TTGEN,%20Rainer&CHEVALIER,%20Bernard&rft.genre=article


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