Guest displacement in silicon clathrates
hal.structure.identifier | Laboratoire de Physique de la Matière Condensée et Nanostructures [LPMCN] | |
dc.contributor.author | TOURNUS, Florent | |
hal.structure.identifier | Laboratoire de Physique de la Matière Condensée et Nanostructures [LPMCN] | |
dc.contributor.author | MASENELLI, Bruno | |
hal.structure.identifier | Laboratoire de Physique de la Matière Condensée et Nanostructures [LPMCN] | |
dc.contributor.author | MÉLINON, Patrice | |
hal.structure.identifier | Laboratoire de Physique de la Matière Condensée et Nanostructures [LPMCN] | |
dc.contributor.author | CONNÉTABLE, Damien | |
hal.structure.identifier | TSNPE | |
dc.contributor.author | BLASE, Xavier | |
hal.structure.identifier | Laboratoire pour l'utilisation du rayonnement électromagnétique [LURE] | |
dc.contributor.author | FLANK, Anne-Marie | |
hal.structure.identifier | Laboratoire pour l'utilisation du rayonnement électromagnétique [LURE] | |
dc.contributor.author | LAGARDE, Pierre | |
hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
dc.contributor.author | CROS, Christian | |
hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
dc.contributor.author | POUCHARD, Michel | |
dc.date.issued | 2004 | |
dc.identifier.issn | 1098-0121 | |
dc.description.abstractEn | We study both theoretically and experimentally the structure of the doped silicon clathrate II NaxSi34. We find that contrary to published works, the sodium atoms do not retain the Td symmetry inside the Si28 cages and move about 1 Å away from the center of the cage. This displacement, in conjunction with that of a sodium atom in an adjacent Si28 cage, leads to a “dimerization” of sodium atoms. As a consequence, Rietveld refinements of x-ray diffraction spectra and transport, vibrational, and electronic properties must be revisited. | |
dc.language.iso | en | |
dc.publisher | American Physical Society | |
dc.subject.en | Clathrates | |
dc.subject.en | Dimerization | |
dc.subject.en | Sodium silicide | |
dc.title.en | Guest displacement in silicon clathrates | |
dc.type | Article de revue | |
dc.identifier.doi | 10.1103/PhysRevB.69.035208 | |
dc.subject.hal | Chimie/Matériaux | |
bordeaux.journal | Physical Review B: Condensed Matter and Materials Physics (1998-2015) | |
bordeaux.page | 035208 (6 p.) | |
bordeaux.volume | 69 | |
bordeaux.issue | 3 | |
bordeaux.peerReviewed | oui | |
hal.identifier | hal-00140539 | |
hal.version | 1 | |
hal.popular | non | |
hal.audience | Internationale | |
hal.origin.link | https://hal.archives-ouvertes.fr//hal-00140539v1 | |
bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Physical%20Review%20B:%20Condensed%20Matter%20and%20Materials%20Physics%20(1998-2015)&rft.date=2004&rft.volume=69&rft.issue=3&rft.spage=035208%20(6%20p.)&rft.epage=035208%20(6%20p.)&rft.eissn=1098-0121&rft.issn=1098-0121&rft.au=TOURNUS,%20Florent&MASENELLI,%20Bruno&M%C3%89LINON,%20Patrice&CONN%C3%89TABLE,%20Damien&BLASE,%20Xavier&rft.genre=article |
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