Electronic structure and equation of state of PdO<sub>2</sub> from ab initio
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 | DEMAZEAU, Gérard | |
hal.structure.identifier | Institut für Anorganische und Analytische Chemie | |
dc.contributor.author | MÖLLER, Manfred H. | |
hal.structure.identifier | Institut für Anorganische und Analytische Chemie | |
dc.contributor.author | PÖTTGEN, Rainer | |
dc.date.issued | 2011 | |
dc.identifier.issn | 0009-2614 | |
dc.description.abstractEn | The 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.iso | en | |
dc.publisher | Elsevier | |
dc.title.en | Electronic structure and equation of state of PdO<sub>2</sub> from ab initio | |
dc.type | Article de revue | |
dc.identifier.doi | 10.1016/j.cplett.2011.04.054 | |
dc.subject.hal | Chimie/Matériaux | |
bordeaux.journal | Chemical Physics Letters | |
bordeaux.page | 215-218 | |
bordeaux.volume | 508 | |
bordeaux.issue | 4-6 | |
bordeaux.peerReviewed | oui | |
hal.identifier | hal-00594779 | |
hal.version | 1 | |
hal.popular | non | |
hal.audience | Internationale | |
hal.origin.link | https://hal.archives-ouvertes.fr//hal-00594779v1 | |
bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Chemical%20Physics%20Letters&rft.date=2011&rft.volume=508&rft.issue=4-6&rft.spage=215-218&rft.epage=215-218&rft.eissn=0009-2614&rft.issn=0009-2614&rft.au=MATAR,%20Samir%20F.&DEMAZEAU,%20G%C3%A9rard&M%C3%96LLER,%20Manfred%20H.&P%C3%96TTGEN,%20Rainer&rft.genre=article |
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