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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.authorDEMAZEAU, Gérard
hal.structure.identifierInstitut für Anorganische und Analytische Chemie
dc.contributor.authorMÖLLER, Manfred H.
hal.structure.identifierInstitut für Anorganische und Analytische Chemie
dc.contributor.authorPÖTTGEN, Rainer
dc.date.issued2011
dc.identifier.issn0009-2614
dc.description.abstractEnThe electronic band structure and chemical bonding properties of rutile type PdO<sub>2</sub> are calculated in the context of the difficulties encountered for its synthesis. They are provided based on ab initio determination of the lattice parameters and energy-volume equation of state leading to a metallic behavior within the ground state rutile structure.
dc.language.isoen
dc.publisherElsevier
dc.title.enElectronic structure and equation of state of PdO<sub>2</sub> from ab initio
dc.typeArticle de revue
dc.identifier.doi10.1016/j.cplett.2011.04.054
dc.subject.halChimie/Matériaux
bordeaux.journalChemical Physics Letters
bordeaux.page215-218
bordeaux.volume508
bordeaux.issue4-6
bordeaux.peerReviewedoui
hal.identifierhal-00594779
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00594779v1
bordeaux.COinSctx_ver=Z39.88-2004&amp;rft_val_fmt=info:ofi/fmt:kev:mtx:journal&amp;rft.jtitle=Chemical%20Physics%20Letters&amp;rft.date=2011&amp;rft.volume=508&amp;rft.issue=4-6&amp;rft.spage=215-218&amp;rft.epage=215-218&amp;rft.eissn=0009-2614&amp;rft.issn=0009-2614&amp;rft.au=MATAR,%20Samir%20F.&amp;DEMAZEAU,%20G%C3%A9rard&amp;M%C3%96LLER,%20Manfred%20H.&amp;P%C3%96TTGEN,%20Rainer&amp;rft.genre=article


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