Untitled
hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
dc.contributor.author | MATAR, Samir F. | |
dc.date.issued | 2012 | |
dc.identifier.issn | 0966-9795 | |
dc.description.abstractEn | The electronic structures of the intermediate-valent cerium compounds Ce4RuMg, Ce23Ru7Mg4, CeRu2Mg5, and Ce2Ru4Mg17 were studied ab-initio by DFT calculations. Common structural characteristics are short Ce∼4+-Ru bonds accompanied by intermediate-valent or almost tetravalent cerium. The degree of depletion of the cerium 4f shell is well monitored in the DOS plots, paralleled by strong covalent Ce-Ru bonding. We also derive magnitudes for the electronic contribution to the specific heat of these compounds in order to appreciate their intermediate valence behaviours. | |
dc.language.iso | en | |
dc.publisher | Elsevier | |
dc.subject.en | Rare-earth intermetallics | |
dc.subject.en | Ab-initio calculations | |
dc.type | Article de revue | |
dc.identifier.doi | 10.1016/j.intermet.2012.06.005 | |
dc.subject.hal | Chimie/Matériaux | |
bordeaux.journal | Intermetallics | |
bordeaux.page | 88-93 | |
bordeaux.volume | 31 | |
bordeaux.peerReviewed | oui | |
hal.identifier | hal-00745559 | |
hal.version | 1 | |
hal.popular | non | |
hal.audience | Internationale | |
hal.origin.link | https://hal.archives-ouvertes.fr//hal-00745559v1 | |
bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Intermetallics&rft.date=2012&rft.volume=31&rft.spage=88-93&rft.epage=88-93&rft.eissn=0966-9795&rft.issn=0966-9795&rft.au=MATAR,%20Samir%20F.&rft.genre=article |
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