[Sans titre]
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | MATAR, Samir F. | |
| hal.structure.identifier | Institut für Anorganische und Analytische Chemie | |
| dc.contributor.author | RODEWALD, Ute Ch. | |
| hal.structure.identifier | Institut für Anorganische und Analytische Chemie | |
| dc.contributor.author | HEYING, Birgit | |
| hal.structure.identifier | Institut für Anorganische und Analytische Chemie | |
| dc.contributor.author | PÖTTGEN, Rainer | |
| dc.date.issued | 2011 | |
| dc.identifier.issn | 1293-2558 | |
| dc.description.abstractEn | The stannide LaPdSn has been synthesized by arc-melting and the structure has been refined from X-ray single crystal diffractometer data: TiNiSi type, <i>Pnma</i>, <i>a</i> = 763.8(1), <i>b</i> = 473.47(7), <i>c</i> = 799.4(1) pm, <i>wR</i>2 = 0.0417, 548 <i>F</i><sup>2</sup> values, 20 variables. The electronic structures of LaPdSn, La<sub>3</sub>Pd<sub>4</sub>Sn<sub>6</sub> and Ce<sub>3</sub>Pd<sub>4</sub>Sn<sub>6</sub> (own type) were investigated through scalar relativistic all-electron calculations within the DFT framework. The three stannides show a weakly metallic behavior with itinerant states crossing the Fermi level. The chemical bonding strength is such that Pd-Sn > La(Ce)-Sn > La(Ce)-Pd with a relevant feature of significant Sn-Sn bonding in La<sub>3</sub>Pd<sub>4</sub>Sn<sub>6</sub>, in agreement with the interatomic distances in the [PdSn], respectively [Pd<sub>4</sub>Sn<sub>6</sub>] polyanions. Spin polarized calculations on Ce<sub>3</sub>Pd<sub>4</sub>Sn<sub>6</sub> show spin polarization on all three crystallographically independent cerium sites, leading to ferrimagnetism. | |
| dc.language.iso | en | |
| dc.publisher | Elsevier | |
| dc.subject.en | Stannides | |
| dc.subject.en | Crystal chemistry | |
| dc.subject.en | Polyanions | |
| dc.subject.en | Electronic structure | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1016/j.solidstatesciences.2011.03.022 | |
| dc.subject.hal | Chimie/Matériaux | |
| bordeaux.journal | Solid State Sciences | |
| bordeaux.page | 1285-1290 | |
| bordeaux.volume | 13 | |
| bordeaux.issue | 6 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-00596494 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-00596494v1 | |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Solid%20State%20Sciences&rft.date=2011&rft.volume=13&rft.issue=6&rft.spage=1285-1290&rft.epage=1285-1290&rft.eissn=1293-2558&rft.issn=1293-2558&rft.au=MATAR,%20Samir%20F.&RODEWALD,%20Ute%20Ch.&HEYING,%20Birgit&P%C3%96TTGEN,%20Rainer&rft.genre=article |
Fichier(s) constituant ce document
| Fichiers | Taille | Format | Vue |
|---|---|---|---|
|
Il n'y a pas de fichiers associés à ce document. |
|||