Palladium site ordering and the occurrence of superconductivity in Bi<sub>2</sub>Pd<sub>3</sub>Se<sub>2−<i>x</i></sub>S<sub><i>x</i>
| hal.structure.identifier | Institut für Anorganische Chemie | |
| dc.contributor.author | WEIHRICH, Richard | |
| 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 Chemie | |
| dc.contributor.author | ANUSCA, Irina | |
| hal.structure.identifier | Institut für Anorganische Chemie | |
| dc.contributor.author | PIELNHOFER, F. | |
| hal.structure.identifier | Institut für Anorganische Chemie | |
| dc.contributor.author | PETER, P. | |
| hal.structure.identifier | Institut für Anorganische Chemie | |
| dc.contributor.author | BACHHUBER, F. | |
| hal.structure.identifier | Institut für Anorganische Chemie | |
| dc.contributor.author | EYERT, V. | |
| dc.date.issued | 2011 | |
| dc.identifier.issn | 0022-4596 | |
| dc.description.abstractEn | The crystallographic and electronic structures of compounds related to <i>parkerite</i> (Bi<sub>2</sub>Ni<sub>3</sub>S<sub>2</sub>) are investigated with respect to the recently reported occurrence (Bi<sub>2</sub>Pd<sub>3</sub>Se<sub>2</sub>) and absence (Bi<sub>2</sub>Pd<sub>3</sub>S<sub>2</sub>) of superconductivity. Similarities and differences of the crystal structures are discussed within the series of solid solutions Bi<sub>2</sub>Pd<sub>3</sub>S<sub>2−<i>x</i></sub>Se<sub><i>x</i></sub> from powder and single crystal diffraction data. From crystal structure refinements, the question of different structures and settings of <i>parkerite</i> is discussed. Similar and different 2D and 3D partial Pd-<i>Ch</i> (<i>Ch</i>=S, Se) structures are related to half antiperovskite ordering schemes. To investigate the relation of low dimensional structures and the occurrence of superconductivity, electronic structures are analyzed by scalar-relativistic DFT calculations, including site projected DOS, ECOV and Fermi surfaces. | |
| dc.language.iso | en | |
| dc.publisher | Elsevier | |
| dc.title.en | Palladium site ordering and the occurrence of superconductivity in Bi<sub>2</sub>Pd<sub>3</sub>Se<sub>2−<i>x</i></sub>S<sub><i>x</i> | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1016/j.jssc.2011.01.037 | |
| dc.subject.hal | Chimie/Matériaux | |
| bordeaux.journal | Journal of Solid State Chemistry | |
| bordeaux.page | 797-804 | |
| bordeaux.volume | 184 | |
| bordeaux.issue | 4 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-00586106 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-00586106v1 | |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Journal%20of%20Solid%20State%20Chemistry&rft.date=2011&rft.volume=184&rft.issue=4&rft.spage=797-804&rft.epage=797-804&rft.eissn=0022-4596&rft.issn=0022-4596&rft.au=WEIHRICH,%20Richard&MATAR,%20Samir%20F.&ANUSCA,%20Irina&PIELNHOFER,%20F.&PETER,%20P.&rft.genre=article |
Fichier(s) constituant ce document
| Fichiers | Taille | Format | Vue |
|---|---|---|---|
|
Il n'y a pas de fichiers associés à ce document. |
|||