The U4Re7Si6 type - Trends in electronic structure and chemical bonding
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | MATAR, Samir F. | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | CHEVALIER, Bernard | |
| hal.structure.identifier | Institut für Anorganische und Analytische Chemie | |
| dc.contributor.author | PÖTTGEN, Rainer | |
| dc.date.issued | 2014 | |
| dc.identifier.issn | 1293-2558 | |
| dc.description.abstractEn | The 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.iso | en | |
| dc.publisher | Elsevier | |
| dc.title.en | The U4Re7Si6 type - Trends in electronic structure and chemical bonding | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1016/j.solidstatesciences.2013.10.008 | |
| dc.subject.hal | Chimie/Matériaux | |
| bordeaux.journal | Solid State Sciences | |
| bordeaux.page | 5-10 | |
| bordeaux.volume | 27 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-00906699 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-00906699v1 | |
| bordeaux.COinS | ctx_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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