Electronic and magnetic structures and bonding properties of Ce2T2X (T = nd element; X = Mg, Cd, Pb or Sn) intermetallics from first principles
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | MATAR, Samir F. | |
| hal.structure.identifier | Institut für Anorganische und Analytische Chemie | |
| dc.contributor.author | PÖTTGEN, Rainer | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | CHEVALIER, Bernard | |
| dc.date.issued | 2014 | |
| dc.identifier.issn | 0966-9795 | |
| dc.description.abstractEn | The 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.iso | en | |
| dc.publisher | Elsevier | |
| dc.subject.en | Rare earth intermetallics | |
| dc.subject.en | Crystal chemistry of intermetallics | |
| dc.subject.en | Electronic structure | |
| dc.subject.en | Calculation | |
| dc.title.en | Electronic and magnetic structures and bonding properties of Ce2T2X (T = nd element; X = Mg, Cd, Pb or Sn) intermetallics from first principles | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1016/j.intermet.2014.02.018 | |
| dc.subject.hal | Chimie/Matériaux | |
| dc.subject.hal | Chimie/Chimie inorganique | |
| dc.subject.hal | Chimie/Chimie théorique et/ou physique | |
| bordeaux.journal | Intermetallics | |
| bordeaux.page | 18-23 | |
| bordeaux.volume | 51 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-00974017 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-00974017v1 | |
| bordeaux.COinS | ctx_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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